In the title mol­ecular salt, (C12H14N2)[CoCl4], the dihedral angle between the pyridine rings of the cation is 52.46 (9)° and the N—C—C—N torsion angle is −128.78 (14)°, indicating that the ring nitro­gen atoms are in anti-clinal conformation. The Cl—Co—Cl bond angles in the anion span the range 105.46 (3)–117.91 (2)°. In the extended structure, the cations and anions are linked by cation-to-anion N—H⋯Cl and C—H⋯Cl inter­actions, facilitating the formation of R44(18) and R44(20) ring motifs. Furthermore, the crystal structure features weak anion-to-cation Cl⋯π inter­actions [Cl⋯π = 3.4891 (12) and 3.5465 (12) Å]. Hirshfeld two-dimensional fingerprint plots revealed that the most significant inter­actions are Cl⋯H/H⋯Cl (45.5%), H⋯H (29.0%), Cl⋯C/C⋯Cl (7.8%), Cl⋯N/N⋯Cl (3.5%), Cl⋯Cl (1.4) and Co⋯H (1%) contacts.

This study presents the synthesis, characterization and Hirshfeld surface analysis of a small organic ammonium salt, C2H7BrN+·Br−. Small cations like the one in the title compound are considered promising components of hybrid perovskites, crucial for optoelectronic and photovoltaic applications. While the incorporation of this organic cation into various hybrid perovskite structures has been explored, its halide salt counterpart remains largely uninvestigated. The obtained structural results are valuable for the synthesis and phase analysis of hybrid perovskites. The title compound crystallizes in the solvent-free form in the centrosymmetric monoclinic space group P21/c, featuring one organic cation and one bromide anion in its asymmetric unit, with a torsion angle of −64.8 (2)° between the ammonium group and the bromine substituent, positioned in a gauche conformation. The crystal packing is predominantly governed by Br⋯H inter­actions, which constitute 62.6% of the overall close atom contacts.

The title compound, C8H11PS, which melts below room temperature, was crystallized at low temperature. The P—S bond length is 1.9623 (5) Å and the major contributors to the Hirshfeld surface are H⋯H (58.1%), S⋯H/H⋯S (13.4%) and C⋯H/H⋯C contacts (11.7%).

The crystal structure of the title 2:1 mol­ecular complex between 2-(allyl­thio)­pyridine and 1,2,4,5-tetra­fluoro-3,6-di­iodo­benzene, C6F4I2·2C8H9NS, at 100 K has been determined in the monoclinic space group P21/c. The most noteworthy characteristic of the complex is the halogen bond between iodine and the pyridine ring with a short N⋯I contact [2.8628 (12) Å]. The Hirshfeld surface analysis shows that the hydrogen⋯hydrogen contacts dominate the crystal packing with a contribution of 32.1%.

In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect mol­ecules into ribbons along the b-axis direction, consolidating the mol­ecular packing. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis.

In the title compound, C14H14O4, the dihedral angle between the coumarin ring system (r.m.s deviation = 0.016 Å) and the penta­noate ring is 36.26 (8)°. A short intra­molecular C—H⋯O contact of 2.40 Å is observed. Hirshfeld surface analysis reveals that 46.1% of the inter­molecular inter­actions are from H⋯H contacts, 28.6% are from H⋯O/O⋯H contacts and 14.7% are from H⋯C/C⋯H.

The pyrazolo­pyrimidine moiety in the title mol­ecule, C13H12N4S, is planar with the methyl­sulfanyl substituent lying essentially in the same plane. The benzyl group is rotated well out of this plane by 73.64 (6)°, giving the mol­ecule an approximate L shape. In the crystal, C—H⋯π(ring) inter­actions and C—H⋯S hydrogen bonds form tubes extending along the a axis. Furthermore, there are π–π inter­actions between parallel phenyl rings with centroid-to-centroid distances of 3.8418 (12) Å. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.0%), H⋯N/N⋯H (17.6%) and H⋯C/C⋯H (17.0%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 76.45 Å3 and 6.39%, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the cohesion of the crystal structure is dominated by the dispersion energy contributions.

Reaction of thorium(IV) nitrate with 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)meth­yl]pyridine (L) yielded (LH)2[Th(NO3)6] or (C14H13N4)2[Th(NO3)6] (1), instead of the expected mixed-ligand complex [Th(NO3)4L2], which was detected in the mass spectrum of 1. In the structure, the [Th(NO3)6]2− anions display an icosa­hedral coordination geometry and are connected by LH+ cations through C—H⋯O hydrogen bonds. The LH+ cations inter­act via N—H⋯N hydrogen bonds. Hirshfeld surface analysis indicates that the most important inter­actions are O⋯H/H⋯O hydrogen-bonding inter­actions, which represent a 55.2% contribution.

Two new [1-(phenyl­sulfon­yl)-1H-indol-2-yl]methanamine derivatives, namely, N-(3-meth­oxy­phen­yl)-N-{[1-(phenyl­sulfon­yl)-1H-indol-2-yl]meth­yl}acetamide, C24H22N2O4S, (I), and N-(2,5-di­meth­oxy­phen­yl)-N-{[1-(phenyl­sulfon­yl)-1H-indol-2-yl]meth­yl}benzene­sulfonamide, C29H26N2O6S2, (II), reveal a nearly orthogonal orientation of their indole ring systems and sulfonyl-bound phenyl rings. The sulfonyl moieties adopt the anti-periplanar conformation. For both compounds, the crystal packing is dominated by C—H⋯O bonding [C⋯O = 3.312 (4)–3.788 (8) Å], with the structure of II exhibiting a larger number, but weaker bonds of this type. Slipped π–π inter­actions of anti­parallel indole systems are specific for I, whereas the structure of II delivers two kinds of C—H⋯π inter­actions at both axial sides of the indole moiety. These findings agree with the results of Hirshfeld surface analysis. The primary contributions to the surface areas are associated with the contacts involving H atoms. Although II manifests a larger fraction of the O⋯H/H⋯O contacts (25.8 versus 22.4%), most of them are relatively distal and agree with the corresponding van der Waals separations.

The di­hydro­imidazole ring in the title mol­ecule, C20H20N2O3S, is slightly distorted and the lone pair on the tri-coordinate nitro­gen atom is involved in intra-ring π bonding. The methyl­sulfanyl substituent lies nearly in the plane of the five-membered ring while the ester substituent is rotated well out of that plane. In the crystal, C—H⋯O hydrogen bonds form inversion dimers, which are connected along the a- and c-axis directions by additional C—H⋯O hydrogen bonds, forming layers parallel to the ac plane. The major contributors to the Hirshfeld surface are C⋯H/H⋯C, O⋯H/H⋯O and S⋯H/H⋯S contacts at 20.5%, 14.7% and 4.9%, respectively.

The title compound, C17H13BrN4O5, was synthesized by a Cu2Br2-catalysed Meldal–Sharpless reaction between 4-nitro­phen­oxy­acetic acid propargyl ether and para-bromo­phenyl­azide, and characterized by X-ray structure determination and 1H NMR spectroscopy. The mol­ecules, with a near-perpendicular orientation of the bromo­phenyl-triazole and nitro­phen­oxy­acetate fragments, are connected into a three-dimensional network by inter­molecular C—H⋯O and C—H⋯N hydrogen bonds (confirmed by Hirshfeld surface analysis), π–π and Br–π inter­actions.

In the title mol­ecule, C25H29N5O, the di­hydro­quinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the mol­ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol­ecules are associated through C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π(ring) and C=O⋯π(ring) inter­actions, forming thick layers parallel to the bc plane and with the n-octyl groups on the outside surfaces.

The title complex, (1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-1κ6O)(μ-oxalato-1κ2O1,O2:2κ2O1',O2')triphenyl-2κ3C-potassium(I)tin(IV), [KSn(C6H5)3(C2O4)(C12H24O6)] or K[18-Crown-6][(C6H5)3SnO4C2], was synthesized. The complex consists of a potassium cation coordinated to the six oxygen atoms of a crown ether mol­ecule and the two oxygen atoms of the oxalatotri­phenyl­stannate anion. It crystallizes in the monoclinic crystal system within the space group P21. The tin atom is coordinated by one chelating oxalate ligand and three phenyl groups, forming a cis-trigonal–bipyramidal geometry around the tin atom. The cations and anions form ion pairs, linked through carbonyl coordination to the potassium atoms. The crystal structure features C—H⋯O hydrogen bonds between the oxygen atoms of the oxalate group and the hydrogen atoms of the phenyl groups, resulting in an infinite chain structure extending along a-axis direction. The primary inter-chain inter­actions are van der Waals forces.

This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclo­pentyl-1,2,4-triazol-5-yl)pyridine] and one mol­ecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H inter­actions is somewhat smaller, amounting to 12.4% and 5%, respectively.

The present study focuses on the synthesis and structural characterization of a novel dinuclear CuII complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-N'-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu2Cl4(C10H12N2O2)2]·H2O or [Cu(H2L)2(μ-Cl)CuCl3]·H2O [H2L = 2-hy­droxy-N'-(propan-2-yl­idene)benzohydrazide]. The complex crystallizes in the monoclinic space group P21/n with one mol­ecule of water, which forms inter­actions with the ligands. The first copper ion is penta-coordinated to two benzohydrazine-derived ligands via two nitro­gen and two oxygen atoms, and one bridging chloride, which is also coordinated by the second copper ion alongside three terminal chlorines in a distorted tetra­hedral geometry. The arrangement around the first copper ion exhibits a distorted geometry inter­mediate between trigonal bipyramidal and square pyramidal. In the crystal, chains are formed via inter­molecular inter­actions along the a-axis direction, with subsequent layers constructed through hydrogen-bonding inter­actions parallel to the ac plane, and through slipped π–π stacking inter­actions parallel to the ab plane, resulting in a three-dimensional network. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis. Residual electron density from disordered methanol mol­ecules in the void space could not be reasonably modelled, thus a solvent mask was applied.

This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromo­phen­yl)-1,2,3,4-tetra­hydro­quinolin-4-yl]pyrrolidin-2-one, C19H18Br2N2O. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of mol­ecules along the c axis are connected by C—H⋯π inter­actions. According to a Hirshfeld surface study, H⋯H (36.9%), Br⋯H/H⋯Br (28.2%) and C⋯H/H⋯C (24.3%) inter­actions are the most significant contributors to the crystal packing.

The title compound, bis­[μ-2,2'-(4H-1,2,4-triazole-3,5-di­yl)di­acetato]­bis­[di­aqua­copper(II)] dihydrate, [Cu2(C6H5N3O4)2(H2O)4]·2H2O, is a dinuclear octa­hedral CuII triazole-based complex. The central copper atoms are hexa-coordinated by two nitro­gen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxyl­ate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water mol­ecules. Two additional solvent water mol­ecules are linked to the title mol­ecule by O—H⋯N and O⋯H—O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supra­molecular chains running along the a-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯O/O⋯H (53.5%), H⋯H (28.1%), O⋯O (6.3%) and H⋯C/C⋯H (6.2%) inter­actions. The crystal studied was twinned by a twofold rotation around [100].

In the title compound, C33H29ClN2O2, the two piperidine rings of the di­aza­bicyclo moiety adopt distorted-chair conformations. Inter­molecular C—H⋯π inter­actions are mainly responsible for the crystal packing. The inter­molecular inter­actions were qu­anti­fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter­actions contribute most to the crystal packing (52.3%). The mol­ecular structure was further optimized by density functional theory (DFT) at the B3LYP/6–31 G(d,p) level and is compared with the experimentally determined mol­ecular structure in the solid state.

The two mol­ecules in the asymmetric unit of the title compound, C23H24N2O2S, have a structural overlap with an r.m.s. deviation of 0.82 Å. The piperidine rings adopt a distorted boat conformation. Intra- and inter­molecular C—H⋯O hydrogen bonds are responsible for the cohesion of the crystal packing. The inter­molecular inter­actions were qu­anti­fied and analysed using Hirshfeld surface analysis. The mol­ecular structure optimized by density functional theory (DFT) at the B3LYP/6–311++G(d,p)level is compared with the experimentally determined mol­ecular structure in the solid state.

The asymmetric unit of the title salt, C7H8N3+·C7H5O6S−, comprises two 1,3-di­hydro-2H-benzimidazol-2-iminium cations and two 2-hy­droxy-5-sulfobenzoate anions (Z' = 2). In the crystal, the mol­ecules inter­act through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding inter­actions lead to the formation of layers parallel to (overline{1}01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%.

In the title compound, C27H19O3N, the dihedral angle between the aromatic rings of the biphenyl unit is 38.14 (2)° and the C—O—C—C torsion angle in the benz­yloxy benzene fragment is 179.1 (2)°. In the crystal, the mol­ecules are linked by weak C—H⋯O inter­actions forming S(9) chains propagating along [010]. The most important contributions to the Hirshfeld surface arise from H⋯H (32.4%) and C⋯H/H⋯C (37.0%) contacts.

The benzimidazole moiety in the title mol­ecule, C19H25N5O, is almost planar and oriented nearly perpendicular to the triazole ring. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into a network structure. There are no π–π inter­actions present but two weak C—H⋯π(ring) inter­actions are observed. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (62.0%), H⋯C/C⋯H (16.1%), H⋯N/N⋯H (13.7%) and H⋯O/O⋯H (7.5%) inter­actions. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated via the dispersion energy contributions in the title compound.

The crystal structure of the title compound C20H17NO2S features hydrogen-bonding and C—H⋯π inter­actions. Hirshfeld surface analysis revealed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O inter­actions make a major contribution to the crystal packing. Docking studies were carried out to determine the binding affinity and inter­action profile of the title compound with EGFR kinase, a member of the ErbB family of receptor tyrosine kinases, which is crucial for processes such as cell proliferation and differentiation. The title compound shows a strong binding affinity with EGFR kinase, with the most favourable conformation having a binding energy of −8.27 kcal mol−1 and a predicted IC50 of 870.34 nM, indicating its potential as a promising candidate for targeted lung cancer therapy.

The mol­ecule of the title compound, [Ni(C5H7O2)2(C8H9N3)(H2O)]·C2H5OH, has triclinic (Poverline{1}) symmetry. This compound is of inter­est for its anti­microbial properties. The asymmetric unit comprises two independent complex mol­ecules, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of inter­mol­ecular inter­actions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts.

In the racemic title compound, C28H30O2, the naphthyl ring systems subtend a dihedral angle of 68.59 (1)° and the mol­ecular conformation is consolidated by a pair of intra­molecular C—H⋯π contacts. The crystal packing features a weak C—H⋯π contact and van der Waals forces. A Hirshfeld surface analysis of the crystal structure reveals that the most significant contributions are from H⋯H (73.2%) and C⋯H/H⋯C (21.2%) contacts.

The title compound, [Sn(C6H5)Cl3(C12H8N2)], which was obtained by the reaction between 1,10-phenanthroline and phenyl­tin trichloride in methanol, exhibits intra­molecular hydrogen-bonding inter­actions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by inter­molecular C—H⋯Cl hydrogen bonds, as well as Y—X⋯π and π-stacking inter­actions involving three different aromatic rings with centroid–centroid distances of 3.6605 (13), 3.9327 (14) and 3.6938 (12) Å]. Hirshfeld surface analysis and the associated two-dimensional fingerprint plots reveal significant contributions from H⋯H (30.7%), Cl⋯H/H⋯Cl (32.4%), and C⋯H/H⋯C (24.0%) contacts to the crystal packing while the C⋯C (6.2%), C⋯Cl/Cl⋯C (4.1%), and N⋯H/H⋯N (1.7%) inter­actions make smaller contributions.

The title compound, [Cd(C14H16N3S)Cl] or [CdLCl] (1), where LH = 2-[bis­(pyridin-2-ylmeth­yl)amino]­ethane-1-thiol, was prepared and structurally characterized. The Cd2+ complex crystallizes in P21/c with a distorted trigonal–bipyramidal metal coordination geometry. Supra­molecular inter­actions in 1 include parallel offset face-to-face inter­actions between inversion-related pyridyl rings and potential hydrogen bonds with chlorine or sulfur as the acceptor. Additional cooperative pyrid­yl–pyridyl inter­actions with roughly 45° tilt angles and centroid–centroid distances of less than 5.5 Å likely also contribute to the overall solid-state stability. Hirshfeld surface analysis indicates that H⋯H (51.2%), Cl⋯H/H⋯Cl (13.9%), C⋯H/H⋯C (12.3%) and S⋯H/H⋯S (11.8%) inter­actions are dominant in the solid state.

The mol­ecular salt sulfamethoxazolium {or 4-[(5-methyl-1,2-oxazol-3-yl)sulf­amo­yl]anilinium methyl sulfate monohydrate}, C10H12N3O3S+·CH3O4S−·H2O, was prepared by the reaction of sulfamethoxazole and H2SO4 in methanol and crystallized from methanol–ether–water. Protonation takes place at the nitro­gen atom of the primary amino group. In the crystal, N—H⋯O hydrogen bonds (water and methyl­sulfate anion) and inter­molecular N—H⋯N inter­actions involving the sulfonamide and isoxazole nitro­gen atoms, link the components into a tri-dimensional network, additional cohesion being provided by face-to-face π–π inter­actions between the phenyl rings of adjacent mol­ecules. A Hirshfeld surface analysis was used to verify the contributions of the different inter­molecular inter­actions, showing that the three most important contributions for the crystal packing are from H⋯O (54.1%), H⋯H (29.2%) and H⋯N (5.0%) inter­actions.

The title mol­ecule, C25H23BrN2O2, adopts a cup shaped conformation with the distinctly ruffled imidazolidine ring as the base. In the crystal, weak C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions form helical chains of mol­ecules extending along the b-axis direction that are linked by additional weak C—H⋯π(ring) inter­actions across inversion centres. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.0%), C⋯H/H⋯C (21.3%), Br⋯H/H⋯Br (12.8%) and O⋯H/H⋯O (12.4%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 251.24 Å3 and 11.71%, respectively, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated by the dispersion energy.

The crystal structure of the title compound, [Ni(C8H20N4)(NO3)]NO3, at room temperature, has monoclinic (P21/n) symmetry. The structure displays inter­molecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetra­aza­cyclo­dodecane (cyclen) backbone has the [4,8] configuration, with three nitro­gen-bound H atoms directed above the plane of the nitro­gen atoms towards the offset nickel atom with the fourth nitro­gen-bound hydrogen directed below from the plane of the nitro­gen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand.

The structures of the title compounds 2-hy­droxy-N'-methyl­acetohydrazide, 1, and 2-hy­droxy-N-methyl­acetohydrazide, 2, both C3H8N2O2, as regioisomers differ in the position of the methyl group relative to the N atoms in 2-hy­droxy-acetohydrazide. In the structure of 1, the 2-hy­droxy-acetohydrazide core [OH—C—C(=O)—NH—NH] is almost planar and the methyl group is rotated relative to this plane. As opposed to 1, in the structure of 2 all non-hydrogen atoms lie in the same plane. The hydroxyl and carbonyl groups in structures 1 and 2 are in trans and cis positions, respectively. The methyl amino group and carbonyl group are in the cis position relative to the C—N bond in structure 1, while the amino group and carbonyl group are in the trans position relative to the C—N bond in stucture 2. In the crystal, mol­ecules of 1 are linked by N—H⋯O and O—H⋯N inter­molecular hydrogen bonds, forming layers parallel to the ab crystallographic plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 55.3%. The contribution of the H⋯O/O⋯H inter­action is somewhat smaller, amounting to 30.8%. In the crystal, as a result of the inter­molecular O—H⋯O hydrogen bonds, mol­ecules of 2 form dimers, which are linked by N—H⋯O hydrogen bonds and a three-dimensional supra­molecular network The major contributors to the Hirshfeld surface are H⋯H (58.5%) and H⋯O/O⋯H contacts (31.7%).

Two new phenyl­sulfonyl­indole derivatives, namely, N-{[3-bromo-1-(phenyl­sulfon­yl)-1H-indol-2-yl]meth­yl}-N-(4-bromo-3-meth­oxy­phen­yl)benzene­sulfonamide, C28H22Br2N2O5S2, (I), and N,N-bis­{[3-bromo-1-(phenyl­sulfon­yl)-1H-indol-2-yl]meth­yl}benzene­sulfonamide, C36H27Br2N3O6S3, (II), reveal the impact of intra­molecular π–π inter­actions of the indole moieties as a factor not only governing the conformation of N,N-bis­(1H-indol-2-yl)meth­yl)amines, but also significantly influencing the crystal patterns. For I, the crystal packing is dominated by C—H⋯π and π–π bonding, with a particular significance of mutual indole–indole inter­actions. In the case of II, the mol­ecules adopt short intra­molecular π–π inter­actions between two nearly parallel indole ring systems [with the centroids of their pyrrole rings separated by 3.267 (2) Å] accompanied by a set of forced Br⋯O contacts. This provides suppression of similar inter­actions between the mol­ecules, while the importance of weak C—H⋯O hydrogen bonding to the packing naturally increases. Short contacts of the latter type [C⋯O = 3.389 (6) Å] assemble pairs of mol­ecules into centrosymmetric dimers with a cyclic R22(13) ring motif. These findings are consistent with the results of a Hirshfeld surface analysis and together they suggest a tool for modulating the supra­molecular behavior of phenyl­sulfonyl­ated indoles.

In the title compound, C25H17NO3, the torsion angle associated with the phenyl benzoate group is −173.7 (2)° and that for the benz­yloxy group is −174.8 (2)° establishing an anti-type conformation. The dihedral angles between the ten-membered cyanona­phthalene ring and the aromatic ring of the phenyl benzoate and the benz­yloxy fragments are 40.70 (10) and 87.51 (11)°, respectively, whereas the dihedral angle between the aromatic phenyl benzoate and the benz­yloxy fragments is 72.30 (13)°. In the crystal, the mol­ecules are linked by weak C—H⋯O inter­actions forming S(4) chains propagating parallel to [010]. The packing is consolidated by three C—H⋯π inter­actions and two π–π stacking inter­actions between the aromatic rings of naphthalene and phenyl benzoate with centroid-to-centroid distances of 3.9698 (15) and 3.8568 (15) Å, respectively. Inter­molecular inter­actions were qu­anti­fied using Hirshfeld surface analysis. The mol­ecular structure was further optimized by density functional theory (DFT) at the B3LYP/6–311+ G(d,p) level, revealing that the energy gap between HOMO and LUMO is 3.17 eV. Mol­ecular docking studies were carried out for the title compound as a ligand and SARS-Covid-2(PDB ID:7QF0) protein as a receptor giving a binding affinity of −9.5 kcal mol−1.

In the title mol­ecule, C20H18ClN3O2, the 2-chloro­phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenyl­acetamide moiety is nearly planar due to a weak, intra­molecular C—H⋯O hydrogen bond. In the crystal, N—H⋯O hydrogen bonds and π-stacking inter­actions between pyridazine and phenyl rings form helical chains of mol­ecules in the b-axis direction, which are linked by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions. A Hirshfeld surface analysis was performed, which showed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O inter­actions to dominate the inter­molecular contacts in the crystal.

The title organic–inorganic hybrid salt, C2H7IN+·I−, is isotypic with its bromine analog, C2H7BrN+·Br− [Semenikhin et al. (2024). Acta Cryst. E80, 738–741]. Its asymmetric unit consists of one 2-iodo­ethyl­ammonium cation and one iodide anion. The NH3+ group of the organic cation forms weak hydrogen bonds with four neighboring iodide anions, leading to the formation of supra­molecular layers propagating parallel to the bc plane. Hirshfeld surface analysis reveals that the most important contribution to the crystal packing is from N—H⋯I inter­actions (63.8%). The crystal under investigation was twinned by a 180° rotation around [001].

A new uranium metal–organic complex salt, [U(C10H9O2)2O2(C2H6O)], with benzoyl acetone, namely, bis­(benzoyl­acetonato)(ethanol)dioxidouranium(VI), was synthesized. The compound has monoclinic P21/n symmetry. The geometry of the seven-coordinate U atom is penta­gonal bipyramidal, with the uranyl oxygen atoms in apical positions. In the complex, the ligands bind to the metal through oxygen atoms. Additional weak O—H⋯O contacts between the cations and anions consolidate the three-dimensional arrangement of the structure. On the Hirshfeld surface, the largest contributions come from the short contacts such as van der Waals forces, including H⋯H, O⋯H and C⋯H. Inter­actions including C⋯C and O⋯C contacts were also observed; however, their contribution to the overall cohesion of the crystal structure is minor. A packing analysis was performed to check the strength of the crystal packing.

Hollywood billboard queen, Angelyne was featured on the first Off-Ramp episode producer Chris Greenspon ever heard.; Credit: Creative Commons via Flickr user Thomas Hawk

After a few semesters of college radio at Mt. San Antonio College, I landed my first radio job: Board Operator! At struggling KFWB Newstalk 980. My career in radio began the way it does for so many, working odd hours and weekends.

A few months into my new gig, I was leaving for work and I thought, “You know, if I’m going to work in radio, I should listen to the radio.” I drove over the bridge on Hacienda Boulevard in La Puente, heading towards the 60, and right in front of my on-ramp, there was a big, orange billboard for KPCC. Why not 89.3?

The first thing I heard (and I should clarify that this was also my first time ever hearing public radio) was Janis Joplin getting her star on the Hollywood Walk of Fame, on Off-Ramp. Clive Davis, the CBS A&R executive who signed Joplin, told the crowd about how Joplin had suggested sealing their new relationship by having sex (though he demurred), and that his heart was broken when she died. Then Kris Kristofferson sang “Me & Bobby McGee,” and I was smiling, until I heard a chorus of hippies singing "Mercedes Benz." Pee-yew!

“Should I stay?” I asked myself. How could I not, when someone named Dylan Brody came on and told a story about letting his dogs poop on the neighbor’s lawn? But then, the real cheese, for a 20-something year old, biracial kid who loved space ships and tough punk girls; "Love and Rockets" cartoonist Jaime Hernandez talking about drawing for Junot Diaz.

All this was to say nothing of the loud, defiant-sounding host, who kept saying. "This is Off-Ramp, I’m John Rabe." I listened to him slide between all of these topics, and even report from the field himself, talking about museums in a way that wasn’t – boring. After a few more pieces and a few more uses of the Off-Ramp theme song, I had a new favorite show. And I suspect a few other people did too.

That was November 2013. Five months later, I was on the show. At the end of the episode, I noticed that they had an intern in the credits, and after many repeated scourings of the KPCC careers page, the position finally opened up. So what’d I do? I went out with my chintzy audio recorder, and recorded a story so if I got an interview, I wouldn’t go in empty-handed. I didn’t get the internship then, but John did buy the piece. Remember the one about the Burmese Café run by an ex-biologist?

I kept freelancing after that, and honestly, I got a lot of my ideas from stuff that Off-Ramp wasn’t doing. John would have Angelyne, and her famous Hollywood billboard, but what about the giant neon sign at Rose Hills Cemetery in Pico Rivera? Kevin Ferguson would hang out with Mike Watt from the Minutemen, but what about punk supergroup, the Flesh Eaters? And could we talk about a domestic violence shelter in a Thanksgiving Special, or the fact that a home-abortion movement started in Los Angeles?

John eventually asked me to intern after turning the Jim Tully mini-documentary in, and even after joining the company, writing these kinds of stories for Off-Ramp was still not easy, but there was room for all of them. I would be beyond thrilled if somebody heard even one of them when they heard Off-Ramp for the first time.

This content is from Southern California Public Radio. View the original story at SCPR.org.

Off-Ramp producer Queena Kim acts on behalf of millions of Angelenos. The meter didn't stand a chance.

; Credit: John Rabe/KPCC

Off-Ramp began eleven years ago, just as digital technology was beginning to overtake radio. No more cassette tape or mini-discs; host John and producer Queena Kim thought they could take on all of Los Angeles with two digital audio recorders and a different approach to public radio.

Short-handed as they were, John and Queena had to adopt slash-and-burn tactics to get each show produced on time. The majority of interviews were conducted in the field; at the homes, workplaces, and favorite hang-outs of their subjects (instead of waiting for guests to come to the station) and many of the stories were edited as simple two-way interviews with life in Southern California picked up as ambient, background noise. After all, a show called Off-Ramp had better be ready to brave some LA traffic.

At this juncture, John feels free to say what he has always wanted to, but hasn't for fear of self-aggrandizement: "I think we were trendsetters. I think Marketplace and NPR heard the stuff we were doing, and started doing stuff like it." Once again, Kim chalks it up to being in the right place at the right time technologically, and the two person team's willingness to break out of the old-school, public radio way writing a story: with a very clear sonic difference between studio narration and field audio.

Of course, it wasn't just Marantz recorders and minimal rewriting that gave Off-Ramp its flavor. There was a whole lot of weird spewing up out of Los Angeles during the show's formative years and Kim's tenure (2006-2010). She recalls covering a ten-theremin orchestra at Disney Hall, and the excitement of working on a show that let her (and the listeners, vicariously) do things she always wanted to do. "It was almost like having a free pass to the city."

In order to capture what was new and exciting, John and Queena both agree that it was absolutely vital to abandon the reporter's instinct for safely packaging the story ahead of time. John cites his editor at Minnesota Public Radio's philosophy, Mike Edgerly; "Go find what the story is, go out and explore and figure out what the story is. Don't figure it out at your desk first." The collaboration between John's ideas and Kim's sense of logistics formed a dialectic relationship, valuing the "third, better idea" over either of their original perspectives. In light of that, John says Queena Kim was the perfect person with whom to start Off-Ramp. 

This content is from Southern California Public Radio. View the original story at SCPR.org.

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Many people turn to the Internet to find a Mr. or Ms. Right. But lemurs just give their potential partners a sniff. A study of lemur scents has found that an individual’s distinctive body odor reflects genetic differences in their immune system, and that other lemurs can detect these differences by smell. From just one whiff, these primates can tell which prospective partners have immune genes different from their own. The ability to sniff out mates with different immune genes could make their offspring’s immune systems more diverse and able to fight more pathogens. Shown here: Fritz the ring-tailed lemur sniffs a tree for traces of other lemurs’ scents.

Image credit: David Haring/Duke Lemur Center

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Scientists have recovered the first genetic data from an extinct bird in the Caribbean, thanks to the remarkably preserved bones of a Creighton's caracara in a flooded sinkhole on Great Abaco Island in the Bahamas. Studies of ancient DNA from tropical birds have faced two formidable obstacles. Organic material quickly degrades when exposed to heat, light and oxygen. And birds' lightweight, hollow bones break easily, accelerating the decay of the DNA within. But the dark, oxygen-free depths of a 100-foot blue hole known as Sawmill Sink provided ideal preservation conditions for the bones of Caracara creightoni, a species of large carrion-eating falcon that disappeared soon after humans arrived in the Bahamas about 1,000 years ago. Florida Museum of Natural History researcher Jessica Oswald and her colleagues extracted and sequenced genetic material from the 2,500-year-old C. creightoni femur. Because ancient DNA is often fragmented or missing, the team had modest expectations for what they would find –- maybe one or two genes. But instead, the bone yielded 98.7% of the bird's mitochondrial genome, the DNA most living things inherit from their mothers. The mitochondrial genome showed that C. creightoni is closely related to the two remaining caracara species alive today: the crested caracara and the southern caracara. The three species last shared a common ancestor between 1.2 and 0.4 million years ago. "This project enhanced our understanding of the ecological and evolutionary implications of extinction, forged strong international partnerships, and trained the next generation of researchers," says Jessica Robin, a program director in National Science Foundation's Office of International Science and Engineering, which funded the study.

Image credit: Florida Museum photo by Kristen Grace

According to one new account of the Trump presidency, even telling the story of President Trump's Covid diagnosis was difficult due to the chaos in the white house. Here, Trump removes his protective mask after being discharged from the Walter Reed National Military Medical Center with Covid-19.; Credit: Bloomberg/Bloomberg via Getty Images

When the Wall Street Journal's Michael Bender wrote his book about Donald Trump's 2020 defeat, one section stuck out as particularly difficult: telling the story of what Bender dubbed "Hell Week-And-A-Half."​

"It was the ten days in 2020 that started with the super spreader event in the Rose Garden, included the Trump's disastrous debate with Joe Biden in Cleveland, and then Trump himself obviously testing positive for COVID a few days later," Bender said.

It's not just that it was a lot to fold together; it's that simply figuring out what happened was maddening.​

"How early he tested positive, how sick he was during that time — I mean, these are serious questions with national security implications that very few people knew or had firsthand knowledge of, and I had competing versions from senior officials, serious people who all were telling me different versions of that story," he said.

Bender's Frankly, We Did Win This Election is one of many books trying to pull order from Trump's chaos, and that struggle to discern the truth, he explains, is itself emblematic of the Trump administration.​

"The deception wasn't just with the public. It was literally from person to person inside the West Wing," he said. "And that's the story — not necessarily worrying about exactly what happened, which will have to come out at some later point, if it ever does."

Former officials are judging Trump's election lies and pandemic response poorly

Judging from the excerpts that have been released, this first wave of post-Trump-presidency books is filled with behind-closed-doors details — like, for example, how gravely ill Trump was with COVID-19, or former Attorney General William Barr's blunt assessment about Trump's claims of a rigged election: "​My suspicion all the way along was that there was nothing there. That it was all bulls***," as ABC's Jonathan Karl recounts.

But the challenge of recounting this chapter of American history is not just about recounting news-making moments — the racist statements, the allegations of sexual assault, the impeachments — but making sense of it.​

Yasmeen Abutaleb, who coauthored the forthcoming Nightmare Scenario with her Washington Post colleague Damian Paletta, agreed that it was hard to discern the truth from dozens of conflicting stories from within the White House.

But that made it all the more striking when they did find consensus on the Trump White House's coronavirus response. "Of the more than 180 people we spoke to, there wasn't a single one who defended the collective response," she said.

Writing this book, she added, allowed her and Paletta to come away with a clearer assessment of the Trump White House's pandemic response than they gleaned from their day-to-day coverage last year.

"Coronavirus was going to be a challenge no matter who was in charge," she said. "But when we looked at the number of opportunities there were to turn the response around, many of which we didn't know about at the time or couldn't learn it at the time, I think we were shocked at the number of opportunities there were and how they weren't taken."

In addition to the challenge of telling complete, ordered stories of a chaotic presidency, there is also the challenge of placing that presidency into historical context, says Princeton presidential historian Julian Zelizer. He's working with a team of historians to pull together a history of the Trump administration.

"Why did America's political system have room for so much chaos over a four year period? Which is this big puzzle I don't think everyone's totally grappled with," he said.

It's not just journalists and historians. Trump-administration insiders will try to explain their place in history. That's according to Keith Urbahn, a co-founder of Javelin, a literary agency that represented Bender, former UN ambassador John Bolton, and former FBI director James Comey, with more to come.​

"I think it does require for people who worked in the Trump presidency to wrestle with some of the moral compromises that they had to make by serving in that administration," he said.

Post-Trump chaos is rippling through the publishing world

Writing the history of a leaky, live-tweeted presidency has been unusual for a variety of additional reasons. There's book industry tumult — Simon and Schuster employees protested the publishing giant over printing former Vice President Mike Pence's book.

In addition, Trump could still run for president again, which may be why he has given at least 22 book interviews, Axios recently reported. (He has also said he is writing the "book of all books," though some major publishers are hesitant about publishing it, Politico has reported.)

The Trump era was also unusual for the book industry in another way.

"We can honestly say that the four years of the Trump administration were four of the strongest years cumulatively for political books since we've been tracking books, which started in 2001," said Kristen McLean, executive director and industry analyst at market research firm NPD.

Now, however, those sales moving back towards a pre-Trump normal — political book sales are down 60% from the second half of 2020, McLean said.

But that doesn't mean interest will disappear, according to Javelin co-founder Matt Latimer.​

"For example, next year there are a dozen or more books coming out about President Nixon," he said. "I mean, I think long after we're all gone, people are going to be trying to figure out what the hell this was all about."

It's been 47 years since Nixon resigned. By that same math, we'll be reading new Trump books into the late 2060s — and probably beyond.

This content is from Southern California Public Radio. View the original story at SCPR.org.

Washington State Department of Agriculture entomologist Chris Looney displays a dead Asian giant hornet, a sample sent from Japan and brought in for research last year in Blaine, Wash.; Credit: Elaine Thompson /AFP via Getty Images

Murder hornets. They're back.

Authorities in Washington state have announced that they've confirmed the first U.S. report this year of an Asian giant hornet, or Vespa mandarinia, in a town north of Seattle.

"Basically the only information we have is that a slightly dried out, dead specimen was collected off of a lawn in Marysville," said Sven Spichiger, managing entomologist with the state agriculture department, during a press conference.

"There really isn't even enough information to speculate on how it got there or how long it had been there," Spichiger added.

Because of its withered condition and the fact that male giant hornets don't typically emerge until July, agriculture officials believe the hornet discovered in early June was likely from a previous season and just recently found.

So-called "murder hornets" are native to Asia but have been spotted in Washington state and Canada over the past two years. The sting of the Vespa mandarinia can be life-threatening to humans, and the killer insects are known to wipe out the colonies of their fellow bugs, particularly honey bees.

According to genetic testing of the specimen discovered in Washington this month, the dead hornet was not the same as the other giant hornets discovered in North America since 2019. The hornet's coloration, which indicates it came from southern Asia, also suggested it arrived in "probably a separate event" than the ones previously known, Spichiger said.

But he emphasized that that was not necessarily cause for alarm.

"I want to very much clarify that a single dead specimen does not indicate a population," Spichiger said.

Washington agriculture officials are now setting murder hornet traps in the area of the discovery and are encouraging "citizen scientists" to do the same.

This content is from Southern California Public Radio. View the original story at SCPR.org.

Wearing a rainbow sequin gown she designed herself in honor of Pride Month, Kataluna Enriquez made history last weekend when she was crowned Miss Nevada USA — the win will make her the first openly transgender contestant to compete in the upcoming Miss USA pageant this fall.

"My win is our win," she posted afterward on her Instagram in a message to the LGBTQ community. "We just made history. Happy pride."

Enriquez, who was also Miss Nevada USA's first trans contestant, beat out 21 other women for the top spot. She will represent the Silver State at the 2021 Miss USA pageant that will be held on Nov. 29 in Tulsa, Okla., where she will have a chance to be crowned Miss USA and advance to the Miss Universe pageant.

If crowned Miss USA, Enriquez will become the second trans contestant to compete for Miss Universe, after Angela Ponce, who represented Spain in the 2018 Miss Universe pageant. The pageant began allowing transgender contestants in 2012.

Enriquez began competing in pageants in 2015. Unable to afford custom designer gowns that fit her body at the time, she began designing her own to wear for competitions and eventually started her own line, Kataluna Kouture (@katalunakouture). In March, Enriquez became the first trans woman to win Miss Nevada's preliminary pageant, Miss Silver State USA.

The journey has not been easy, and Enriquez has faced discrimination. While competing in a pageant outside of Nevada, she had not been given a roommate when pageant organizers learned she was trans. A doctor had also been sent to certify that she was a woman before she could continue.

But Enriquez told NPR's Weekend All Things Considered that her determination to make history was what motivated her to keep competing.

"I had a purpose and I had a dream," she said. "I wanted to compete on the Miss USA stage. When I was young, I always wanted to see someone on the Miss USA stage — someone like me. And it just happened to be that I was the person that I needed to make history."

As she prepares for the Miss USA pageant, Enriquez said she plans to advocate for equality and mental health.

"My win is not just a win for the trans community," she said. "It's a win for all women to be represented."

Kalyani Saxena and Tinbete Ermyas produced and edited the audio version of this story. Josie Fischels produced for the web. Josie Fischels is an intern on NPR's News Desk.

This content is from Southern California Public Radio. View the original story at SCPR.org.

The program of the North Carolina Department of Transportation provides limited funds for low-income persons who need to maintain or insure their car so they can continue working. It is administered by Catawba County Social Services

Chinese maker of products for the textile industry has located its first US manufacturing facility in Conover, creating 78 new jobs.

; Credit: /Rob Dobi for NPR

When someone applies to college, there's often a box or a section on the application that asks if they have any relatives who attended the university —perhaps a parent or a cousin. This is called "legacy," and for decades it's given U.S. college applicants a leg up in admissions. But no longer in Colorado's public colleges.

On Tuesday, Colorado became the first state to do away with that admissions boost, when Democratic Gov. Jared Polis signed a ban on the practice into law. The governor also signed a bill that removes a requirement that public colleges consider SAT or ACT scores for freshmen, though the new law still allows students to submit test scores if they wish.

Both moves are aimed at making higher education access more equitable. According to the legislation, 67% of middle- to high-income students in Colorado enroll in bachelor's degree programs straight from high school, while only 47% of low-incomes students do. There are also major differences when it comes to race, with white students far more likely to enroll in college.

Legacy admissions have long been a target for reform. In a 2018 survey of admissions directors by Inside Higher Ed, 42% of private institutions and 6% of public institutions said they consider legacy status as a factor in admissions. Some of the nation's largest public universities do not consider legacy, including both the University of California and the California State University systems. However, private colleges in California have reported using legacy as a way to encourage philanthropic giving and donations.

During the pandemic, many colleges backed off on using SAT and ACT scores in admissions. Research has shown — and lawsuits have argued -- that the tests, long used to measure aptitude for college, are far more connected to family income and don't provide meaningful information about a student's ability to succeed in college. Wealthier families are also more likely to pay for test prep courses, or attend schools with curriculums that focus on the exams.

As pandemic restrictions loosen up, and in-person testing resumes, some universities have begun to re-incorporate the SAT and ACT into their admissions. But others have made the temporary changes permanent. This spring, the University of California system agreed to continue a test-free admissions policy through 2025. California sends the largest number of high school students to U.S. colleges, and if the UC system no longer uses the tests, its unclear whether those students will be interested in applying to other schools that do require them.

This content is from Southern California Public Radio. View the original story at SCPR.org.

Today during the National Academy of Sciences 154th annual meeting, in her first speech to the members of the Academy, NAS President Marcia McNutt stressed the ongoing vitality of America’s scientific enterprise, and called on the country to strengthen its support for science and to continue to turn to science for solutions to the nation’s and the world’s most pressing challenges.

Introducing drone operations into the nation’s airspace can provide substantial benefits to society, such as preventing derailments, inspecting cell phone towers, delivering medical devices to patients in cardiac distress, and assisting firefighters, says a new congressionally mandated report by the National Academies of Sciences, Engineering, and Medicine.

Last week, the International Commission on the Clinical Use of Human Germline Genome Editing held its first public meeting at the National Academy of Sciences building in Washington, D.C.