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Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN3)[4-methyl-2-({[2-oxido-5-(2-phenyl­diazen-1-yl)phen­yl]methyl­idene}amino)penta­noate-κ3O,N,O']copper(II)

The title copper(II) complex, [Cu(C18H19N3O3)(C3H4N2)], consists of a tridentate ligand synthesized from l-leucine and azo­benzene-salicyl­aldehyde. One imidazole mol­ecule is additionally coordinated to the copper(II) ion in the equatorial plane. The crystal structure features N—H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H (52.0%) and C⋯H/H⋯C (17.9%) contacts.




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Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris­(2-methyl­pyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II)

Reaction of Co(NCS)2 with 2-methyl­pyridine N-oxide in a 1:3 ratio in n-butanol leads to the formation of crystals of tris­(2-methyl­pyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II), [Co(NCS)2(C6H7NO)3]. The asymmetric unit of the title compound consists of one CoII cation two thio­cyanate anions and three crystallographically independent 2-methyl­pyridine N-oxide coligands in general positions. The CoII cations are trigonal–bipyramidally coordinated by two terminal N-bonding thio­cyanate anions in the trans-positions and three 2-methyl­pyridine N-oxide coligands into discrete complexes. These complexes are linked by inter­molecular C–H⋯S inter­actions into double chains that elongate in the c-axis direction. Powder X-ray diffraction (PXRD) measurements prove that all batches are always contaminated with an additional and unknown crystalline phase. Thermogravimetry and differential analysis of crystals selected by hand reveal that the title compound decomposes at about 229°C in an exothermic reaction. At about 113°C a small endothermic signal is observed that, according to differential scanning calorimetry (DSC) measurements, is irreversible. PXRD measurements of the residue prove that a poorly crystalline and unknown phase has formed and thermomicroscopy indicates that some phase transition occurs that is accompanied with a color change of the title compound.




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Crystal structure of (E)-N-(4-bromo­phen­yl)-2-cyano-3-[3-(2-methyl­prop­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

The structure of the title compound, C23H21BrN4O, contains two independent mol­ecules connected by hydrogen bonds of the type Namide—H⋯N≡C to form a dimer. The configuration at the exocyclic C=C double bond is E. The mol­ecules are roughly planar except for the isopropyl groups. There are minor differences in the orientations of these groups and the phenyl rings at N1. The dimers are further linked by ‘weak’ hydrogen bonds, two each of the types Hphen­yl⋯O=C (H⋯O = 2.50, 2.51 Å) and Hphen­yl⋯Br (H⋯Br = 2.89, 2.91 Å), to form ribbons parallel to the b and c axes, respectively. The studied crystal was a non-merohedral twin.




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Dimeric ethyl­tin(IV)–dibromide–hydroxide–N,N-di­methyl­formamide

Di-μ-hydroxido-bis­[di­bromido­(di­methyl­formamide-κO)ethyl­tin(IV)], [Sn2Br4(C2H5)2(OH)2(C3H7NO)2], was prepared from ethyl­tin(IV) bromide and N,N-di­methyl­formamide (DMF) in air. The crystal structure exhibits the typical structural features of dimeric Lewis-base-stabilized monoorganotin(IV)–dihalide–hydroxides, RSnHal2(OH), i.e. two octa­hedrally coordinated Sn atoms are linked together via two bridging hydroxide groups, resulting in a centrosymmetric four-membered rhomboid-like Sn–OH ring with acute angles at the Sn atom, obtuse angles at the O atoms and two different tin–oxygen bond lengths. With the shorter bond trans to the ethyl group, this observation underlines once more the so-called trans-strengthening effect in monoorganotin(IV) com­pounds with octa­hedrally coordinated Sn atoms. Differences and similarities in the bond lengths and angles in the four-membered Sn–OH rings have been worked out for the rings in dimeric diorganotin(IV)–halide–hydroxides, [R2SnHal(OH)]2, and hydrates of dimeric tin(IV)–trihalide–hydroxide–aqua–hydrates, [SnHal3(OH)(H2O)]2·nH2O.




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Structure of the five-coordinate CoII complex (1H-imidazole){tris­[(1-benzyl­triazol-4-yl-κN3)meth­yl]amine-κN}cobalt(II) bis­(tetra­fluoro­borate)

The title compound, [Co(C3H4N2)(C30H30N10)](BF4)2, is a five-coordinate CoII complex based on the neutral ligands tris­[(1-benzyl­triazol-4-yl)meth­yl]amine (tbta) and imidazole. It exhibits a distorted trigonal bipyramidal geometry in which the equatorial positions are occupied by the three N-atom donors from the triazole rings of the tripodal tbta ligand. The apical amine N-atom donor of tbta and the N-atom donor of the imidazole ligand occupy the axial positions of the coordination sphere. Two tetra­fluoro­borate anions provide charge balance in the crystal.




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Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hy­droxy­phen­yl)amino]-5,5-diphenyl-1H-imidazol-4(5H)-one

In the title mol­ecule, C21H17N3O2, the five-membered ring is slightly ruffled and dihedral angles between the pendant six-membered rings and the central, five-membered ring vary between 50.78 (4) and 86.78 (10)°. The exocyclic nitro­gen lone pair is involved in conjugated π bonding to the five-membered ring. In the crystal, a layered structure is generated by O—H⋯N and N—H⋯O hydrogen bonds plus C—H⋯π(ring) and weak π-stacking inter­actions.




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Crystal structure of a three-coordinate lithium complex with monodentate phenyl­oxazoline and hexa­methyl­disilyl­amide ligands

The reaction of lithium hexa­methyl­disilyl­amide, [Li{N(Si(CH3)3)2}] (LiHMDS), with 4,4-dimethyl-2-phenyl-2-oxazoline (Phox, C11H13NO) in hexane produced colourless crystals of bis­(4,4-dimethyl-2-phenyl-2-oxazoline-κN)(hexa­methyl­disilyl­amido-κN)lithium, [Li(C6H18NSi2)(C11H13NO)2] or [Li{N(Si(CH3)3)2}(Phox)2] in high yield (89%). Despite the 1:1 proportion of the starting materials in the reaction mixture, the product formed with a 1:2 amide:oxazoline ratio. In the unit cell of the C2/c space group, the neutral mol­ecules lie on twofold rotation axes coinciding with the Li—N(amide) bonds. The lithium(I) centre adopts a trigonal–planar coordination geometry with three nitro­gen donor atoms, one from the HMDS anion and two from the oxazolines. All ligands are monodentate. In the phenyl­oxazoline units, the dihedral angle defined by the five-membered heterocyclic rings is 35.81 (5)°, while the phenyl substituents are approximately face-to-face, separated by 3.908 (5) Å. In the amide, the methyl groups assume a nearly eclipsed arrangement to minimize steric repulsion with the analogous substituents on the oxazoline rings. The non-covalent inter­actions in the solid-state structure of [Li{N(Si(CH3)3)2}(Phox)2] were assessed by Hirshfeld surface analysis and fingerprint plots. This new compound is attractive for catalysis due to its unique structural features.




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Crystal structure of tris­{N,N-diethyl-N'-[(4-nitro­phen­yl)(oxo)meth­yl]carbamimido­thio­ato}cobalt(III)

The synthesis, crystal structure, and a Hirshfeld surface analysis of tris­{N,N-diethyl-N'-[(4-nitro­phen­yl)(oxo)meth­yl]carbamimido­thio­ato}cobalt(III) conducted at 180 K are presented. The complex consists of three N,N-diethyl-N'-[(4-nitro­benzene)(oxo)meth­yl]carbamimido­thio­ato ligands, threefold sym­metric­ally bonded about the CoIII ion, in approximately octa­hedral coordination, which generates a triple of individually near planar metallacyclic (Co—S—C—N—C—O) rings. The overall geometry of the complex is determined by the mutual orientation of each metallacycle about the crystallographically imposed threefold axis [dihedral angles = 81.70 (2)°] and by the dihedral angles between the various planar groups within each asymmetric unit [metallacycle to benzene ring = 13.83 (7)°; benzene ring to nitro group = 17.494 (8)°]. The complexes stack in anti-parallel columns about the overline{3} axis of the space group (Poverline{3}), generating solvent-accessible channels along [001]. These channels contain ill-defined, multiply disordered, partial-occupancy solvent. Atom–atom contacts in the crystal packing predominantly (∼96%) involve hydrogen, the most abundant types being H⋯H (36.6%), H⋯O (31.0%), H⋯C (19.2%), H⋯N (4.8%), and H⋯S (4.4%).




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Synthesis and crystal structure of bis­(2-aminobenzimidazolium) catena-[metavanadate(V)]

The structure of polymeric catena-poly[2-amino­benzimidazolium [[dioxidovanadium(V)]-μ-oxido]], {(C7H8N3)2[V2O6]}n, has monoclinic symmetry. The title compound is of inter­est with respect to anti­cancer activity. In the crystal structure, infinite linear zigzag vanadate (V2O6)2− chains, constructed from corner-sharing VO4 tetra­hedra and that run parallel to the a axis, are present. Two different protonated 2-amino­benzimidazole mol­ecules are located between the (V2O6)2– chains and form classical N—H⋯O hydrogen bonds with the vanadate oxygen atoms, which contribute to the cohesion of the structure.




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Crystal structure and Hirshfeld surface analysis of 2-bromo­ethyl­ammonium bromide – a possible side product upon synthesis of hybrid perovskites

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.




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Synthesis, spectroscopic analysis and crystal structure of (N-{2-[(2-amino­eth­yl)amino]­eth­yl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tri­carb­on­ylrhenium(I)

The title compound, [Re(C17H22N3O2S)(CO)3] is a net neutral fac-Re(I)(CO)3 complex of the 4-methyl­biphenyl sulfonamide derivatized di­ethyl­enetri­amine ligand. The NNN-donor monoanionic ligand coordinates with the Re core in tridentate fashion, establishing an inner coordination sphere resulting in a net neutral complex. The complex possesses pseudo-octa­hedral geometry where one face of the octa­hedron is occupied by three carbonyl ligands and the other faces are occupied by one sp2 nitro­gen atom of the sulfonamide group and two sp3 nitro­gen atoms of the dien backbone. The Re—Nsp2 bond distance, 2.173 (4) Å, is shorter than the Re—Nsp3 bond distances, 2.217 (5) and 2.228 (6) Å, and is similar to the range reported for typical Re—Nsp2 bond lengths (2.14 to 2.18 Å).




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Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter­molecular inter­action energies and energy frameworks of 1-benzyl-4-(methyl­sulfan­yl)-3a,7a-di­hydro-1H-pyrazolo­[3,4-d]pyrimidine

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.




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Crystal structures of four thio­glycosides involving carbamimido­thio­ate groups

The compounds 2',3',4',6'-tetra-O-acetyl-β-d-gluco­pyranosyl N'-cyano-N-phenyl­carbamimido­thio­ate (C22H25N3O9S, 5a), 2',3',4',6'-tetra-O-acetyl-β-d-galacto­pyranosyl N'-cyano-N-phenyl­carbamimido­thio­ate, (C22H25N3O9S, 5b), 2',3',4',6'-tetra-O-acetyl-β-d-galacto­pyranosyl N'-cyano-N-methyl­carbamimido­thio­ate (C17H23N3O9S, 5c), and 2',3',4',6'-tetra-O-acetyl-β-d-galacto­pyranosyl N'-cyano-N-p-tolyl­carbamimido­thio­ate (C23H27N3O9S, 5d) all crystallize in P212121 with Z = 4. For all four structures, the configuration across the central (formal) C=N(CN) double bond of the carbamimido­thio­ate group is Z. The torsion angles C5—O1—C1—S (standard sugar numbering) are all close to 180°, confirming the β position of the substituent. Compound 5b involves an intra­molecular hydrogen bond N—H⋯O1; in 5c this contact is the weaker branch of a three-centre inter­action, whereas in 5a and 5d the H⋯O distances are much longer and do not represent significant inter­actions. The C—N bond lengths at the central carbon atom of the carbamimido­thio­ate group are almost equal. All C—O—C=O torsion angles of the acetyl groups correspond to a synperiplanar geometry, but otherwise all four mol­ecules display a high degree of conformational flexibility, with many widely differing torsion angles for equivalent groups. In the crystal packing, 5a, 5c and 5d form layer structures involving the classical hydrogen bond N—H⋯Ncyano and a variety of ‘weak’ hydrogen bonds C—H⋯O or C—H⋯S. The packing of 5b is almost featureless and involves a large number of borderline ‘weak’ hydrogen bonds. In an appendix, a potted history of wavelength preferences for structure determination is presented and it is recommended that, even for small organic crystals in non-centrosymmetric space groups, the use of Mo radiation should be considered.




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Synthesis, crystal structure and Hirshfeld surface of ethyl 2-[2-(methyl­sulfan­yl)-5-oxo-4,4-diphenyl-4,5-di­hydro-1H-imidazol-1-yl]acetate (thio­phenytoin derivative)

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.




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Crystal structure of bis­(β-alaninium) tetra­bromidoplumbate

The title compound, poly[bis­(β-alaninium) [[di­bromido­plumbate]-di-μ-di­bromido]] {(C2H8NO2)2[PbBr4]}n or (β-AlaH)2PbBr4, crystallizes in the monoclinic space group P21/n. The (PbBr4)2− anion is located on a general position and has a two-dimensional polymeric structure. The Pb center is holodirected. The supra­molecular network is mainly based on O—H⋯Br, N—H⋯Br and N—H⋯O hydrogen bonds.




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Crystal structure and Hirshfeld surface analysis of di­chlorido­[2-(3-cyclo­pentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) di­methyl­formamide monosolvate

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.




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Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-di­hydro-2H-benzimidazol-2-iminium 3-carb­oxy-4-hy­droxy­benzene­sulfonate

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%.




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Crystal structure, Hirshfeld surface analysis, and calculations of inter­molecular inter­action energies and energy frameworks of 1-[(1-hexyl-1H-1,2,3-triazol-4-yl)meth­yl]-3-(1-methyl­ethen­yl)-benzimidazol-2-one

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.




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Synthesis, characterization, and crystal structure of hexa­kis­(1-methyl-1H-imidazole-κN3)zinc(II) dinitrate

The synthesis of the title compound, [Zn(C4H6N2)6](NO3)2, is described. This complex consists of a central zinc metal ion surrounded by six 1-methyl­imidazole ligands, charge balanced by two nitrate anions. The complex crystallizes in the space group Poverline{3}. In the crystal, the nitrate ions are situated within the cavities created by the [Zn(N-Melm)6]2+ cations, serving as counter-ions. The three oxygen atoms of the nitrate ion engage in weak C—H⋯O inter­actions. In addition to single-crystal X-ray diffraction analysis, the complex was characterized using elemental analysis, 1H NMR, 13C NMR, and FTIR spectroscopy.




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Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphen­yl)benzene­sulfonamide

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.




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Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methyl­benzimidazole-κN3)aqua­bis­(4-oxopent-2-en-2-olato-κ2O,O')nickel(II) ethanol monosolvate

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.




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Crystal structure and Hirshfeld surface analyses, crystal voids, inter­molecular inter­action energies and energy frameworks of 3-benzyl-1-(3-bromoprop­yl)-5,5-di­phenyl­imidazolidine-2,4-dione

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.




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Triclinic polymorph of bis­[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetra­chloridocadmium(II)

The crystal structure of the title organic–inorganic hybrid salt, (C13H12N3)2[CdCl4], (I), has been reported with four mol­ecules in the asymmetric unit in a monoclinic cell [Vassilyeva et al. (2021). RSC Advances, 11, 7713–7722]. While using two different aldehydes in the oxidative cyclization–condensation involving CH3NH2·HCl to prepare a new monovalent cation with the imidazo[1,5-a]pyridinium skeleton, a new polymorph was obtained for (I) in space group P1 and a unit cell with approximately half the volume of the monoclinic form. The structural configurations of the two crystallographically non-equivalent organic cations as well as the geometry of the moderately distorted tetra­hedral CdCl42– dianion show minor changes. In the crystal, identically stacked cations and tetra­chloro­cadmate anions form separate columns parallel to the a axis. The loose packing of the anions leads to a minimal separation of approximately 9.53 Å between the metal atoms in the triclinic form versus 7.51 Å in the monoclinic one, indicating that the latter is packed slightly more densely. The two forms also differ by aromatic stacking motifs. Similar to the monoclinic polymorph, the triclinic one excited at 364 nm shows an intense unsymmetrical photoluminescent band with maximum at 403 nm and a full width at half maximum of 51 nm in the solid state.




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Crystal structure of N,N',N''-tri­cyclo­prop­ylbenzene-1,3,5-tricarboxamide

The title compound, C18H21N3O3, was prepared from 1,3,5-benzene­tricarbonyl trichloride and cyclo­propyl­amine. Its crystal structure was solved in the monoclinic space group P21/c. In the crystal, the three amide groups of the mol­ecule are inclined at angles of 26.5 (1), 36.9 (1) and 37.8 (1)° with respect to the plane of the benzene ring. The mol­ecules are linked by N—H⋯O hydrogen bonds, forming two-dimensional supra­molecular aggregates that extend parallel to the crystallographic ab plane and are further connected by C—H⋯O contacts. As a result of the supra­molecular inter­actions, a propeller-like conformation of the title mol­ecule can be observed.




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Crystal structure of catena-poly[[di­aqua­di­imida­zole­cobalt(II)]-μ2-2,3,5,6-tetra­bromo­benzene-1,4-di­carboxyl­ato]

The asymmetric unit of the title compound, [Co(C8Br4O4)(C3H4N2)2(H2O)2]n or [Co(Br4bdc)(im)2(H2O)2]n, comprises half of CoII ion, tetra­bromo­benzene­dicarboxylate (Br4bdc2−), imidazole (im) and a water mol­ecule. The CoII ion exhibits a six-coordinated octa­hedral geometry with two oxygen atoms of the Br4bdc2− ligand, two oxygen atoms of the water mol­ecules, and two nitro­gen atoms of the im ligands. The carboxyl­ate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the CoII ion. The CoII ions are bridged by the Br4bdc2− ligand, forming a one-dimensional chain. The carboxyl­ate group acts as an inter­molecular hydrogen-bond acceptor toward the im ligand and a coordinated water mol­ecule. The chains are connected by inter­chain N—H⋯O(carboxyl­ate) and O—H(water)⋯O(carboxyl­ate) hydrogen-bonding inter­actions and are not arranged in parallel but cross each other via inter­chain hydrogen bonding and π–π inter­actions, yielding a three-dimensional network.




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Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro­phen­yl)meth­yl]-3-methyl-6-oxopyridazin-1-yl}-N-phenyl­acetamide

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.




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'Red Band Society' ads pulled from LA buses amid complaints of racism, sexism

"Red Band Society," premieres on Fox September 17th, starring Octavia Spencer, Charlie Rowe and Nolan Sotillo.; Credit: Fox Television Studios

The Los Angeles County Metropolitan Transportation Authority is pulling ads for the Fox television show "Red Band Society" from nearly 200 buses amid complaints they are racist and offensive to women.

The ads show the ensemble cast's members in front of a wall with graffiti describing their characters.

A denigrating word for a woman is used to describe the show's star, Octavia Spencer's character.

The Los Angeles Times reports transit officials began pulling the ads on Wednesday. They had been up for five weeks.

The Red Band Society also shared the ad on its Facebook page in August. 

Facebook: #RedBandSociety ad

But it's since edited it to look like this.

Photo: New ad via Facebook

Protesters who attended Thursday's transit agency board meeting complained the depiction of Spencer's character is racist and offensive to women.

The actress, who plays a nurse in the hospital drama, is black.

She won a supporting actress Oscar for her role in "The Help."




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Strategic Gains Amid Growth as Mining Royalty Cash Flow and Production Surge

Vox Royalty Corp. (VOXR:TSX.V) reported its Q3 2024 financial results. Read more on how strong cash flow growth, record production, and key project milestones are driving these results.




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School nurse secures lifesaving device for middle schools

Two Automated External Defibrillators (AEDs) were presented to Grandview Middle School and Northview Middle School at a basketball game between the two rivals on January 24. The AEDs were made possible though efforts of Catawba County Public Health school nurse Virginia Beisler, MS, RN. Beisler worked with Frye Regional Medical Center and each school�s booster and PTA clubs to raise the $3,200 necessary to purchase the AEDs.




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Mid-term Assessment of Astronomy and Astrophysics Decadal Goals – New Report

While scientists have made remarkable advancements in astronomy and astrophysics since the beginning of this decade – notably the first detection of gravitational waves and the discovery of distant Earth-like planets – unforeseen constraints have slowed progress toward reaching some of the priorities and goals outlined in the Academies’ 2010 decadal survey of these disciplines, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Up to 8 Million Deaths Occur in Low- and Middle-Income Countries Yearly Due to Poor-Quality Health Care, Says New Report

Recent gains against the burden of illness, injury, and disability and commitment to universal health coverage (UHC) are insufficient to close the enormous gaps that remain between what is achievable in human health and where global health stands today, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Agencies Responsible for Everglades Restoration Should Conduct Mid Course Assessment Considering Climate Change and Sea-level Rise – New Report

As new evidence about climate change and sea-level rise in South Florida continues to emerge, agencies responsible for the restoration of the Everglades should conduct a mid course assessment that rigorously analyzes scenarios of future change to the region’s ecosystem in its planning, says a new congressionally mandated report by the National Academies of Sciences, Engineering, and Medicine.




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How Can Hospitals Overcome Staffing and Supply Shortages Amid COVID-19 Surges?

Six months into the COVID-19 pandemic, many hospitals are still faced with staffing shortages due to the sheer volume of patients, staff illnesses, and non-COVID care that cannot be delayed.




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NAS and NAM Presidents Alarmed By Political Interference in Science Amid Pandemic

As advisers to the nation on all matters of science, medicine, and public health, we are compelled to underscore the value of science-based decision-making at all levels of government.




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Death Rates Rising Among Middle-Aged and Younger Americans - Report Recommends Urgent National Response

Young and middle-aged adults (25-64 years old) in the U.S. have been dying at higher rates since 2010, according to a new report from the National Academies of Sciences, Engineering, and Medicine.




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New Awards in Science Communication Totaling $600,000 Annually Launched by Schmidt Futures and the National Academies

The new Eric and Wendy Schmidt Awards for Excellence in Science Communication aim to recognize and develop excellence in science communication by research scientists and by early career, local, and freelance science journalists. The program will provide winners with cash awards as well as training and resources to further expand their communications skills.




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National Academies Announce Inaugural Recipients of Eric and Wendy Schmidt Awards for Excellence in Science Communications

The 24 inaugural recipients of the Eric and Wendy Schmidt Awards for Excellence in Science Communication have been announced. Given by the National Academies in partnership with Schmidt Futures, the awards recognize science journalists and research scientists who have developed creative, original work about issues and advances in science, engineering, and medicine.




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Submissions for the 2023 Eric and Wendy Schmidt Awards for Excellence in Science Communications Are Now Open

Submissions are now being accepted for the 2023 Eric and Wendy Schmidt Awards for Excellence in Science Communications, which honor top science communicators, journalists, and research scientists who have developed creative, original work to communicate issues and advances in science, engineering, and medicine for the general public.




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How Arid Viper spies on Android users in the Middle East – Week in security with Tony Anscombe

The spyware, called AridSpy by ESET, is distributed through websites that pose as various messaging apps, a job search app, and a Palestinian Civil Registry app




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IXP companies hiking investments amid data center boom

Investments in Internet Exchange Points (IXPs) and peering networks are set to increase in India due to the data center boom. Companies like Extreme Infocom and DE-CIX India are planning significant investments, aiming to enhance data exchange infrastructure and support growing IT workloads and data consumption by mobile users.




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Germany's Scholz to meet Intel CEO amid intensive talks on chip plant

Germany is in intensive discussions with Intel, the economy ministry said on Friday, without commenting on how much state funding the company is set to receive for the project.




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CEOs in infrastructure and transport sector focus on ESG and Gen AI amid growth prospects: KPMG

The survey indicates that 57% of CEOs believe stakeholder expectations on ESG are evolving faster than they can adjust their strategies, with more than half concerned that inadequate climate adaptation could negatively impact growth in the short to medium term.




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Encourage ethical data management amid rising concerns: Confluent’s Jay Kreps

Confluent chief Jay Kreps says compliance can be challenging and lead to scrutiny of data movements. “Streaming technology enables the real-time synchronization of data, connecting all these disparate sources. An apt analogy is that of a central nervous system. The capability to unify data streams from different organizational segments empowers better decision making and the creation of personalized customer experiences,” he said.




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Fats and oils continue to weigh on consumers' packaged food choices amid pandemic pressures

Much has changed in consumers’ buying behaviors regarding foods, but their attention to the fats and oils in the packaged foods they purchase remains consistent, according to Cargill’s most recent FATitudes survey, conducted during the COVID-19 pandemic.




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State of the Industry 2022: Bakery faces formidable challenges

State of the Industry Overview for bakery, including a look at baking industry challenges like the supply chain, workforce development, impact from the war in Europe, and the pandemic.




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Middleby Bakery Group unveils $2.3 million Bakery Innovation Center

Middleby Bakery Group hosted the grand opening of its $2.3 million Bakery Innovation Center in Plano, TX in April. 




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Middleby acquires equipment manufacturer JC Ford

Founded in 1945, JC Ford is based in Columbia, TN, and has $70 million in annual revenues.




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Ross Goldstein: Creating cooling and dehumidification using solar thermal or waste heat

There are multiple ways to dehumidify a space — mechanical, reheat and desiccant to name a few. The biggest issue has been that conventional air conditioning units are only 10% effective at removing humidity. Until now, standard de-humidification systems were expensive to purchase and install.




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Amid inflation, evaluate boiler performance for saving money

As businesses and homeowners across the nation wrestle with inflation and stretching their dollars for maximum value, one area that can’t be overlooked is the heating system.




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5 business lessons learned amid COVID-19

If there’s one thing the global business community has learned from the COVID-19 pandemic that continues to ebb, flow and unfold on the daily, wreaking having on bottom lines in every corner of the world in its wake, it’s the outright imperative for companies to be agile “from top to bottom.”