mid 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) By journals.iucr.org Published On :: 2024-04-11 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. Full Article text
mid Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris(2-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II) By journals.iucr.org Published On :: 2024-04-11 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. Full Article text
mid Crystal structure of (E)-N-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide By journals.iucr.org Published On :: 2024-04-23 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. Full Article text
mid Dimeric ethyltin(IV)–dibromide–hydroxide–N,N-dimethylformamide By journals.iucr.org Published On :: 2024-04-26 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. Full Article text
mid Structure of the five-coordinate CoII complex (1H-imidazole){tris[(1-benzyltriazol-4-yl-κN3)methyl]amine-κN}cobalt(II) bis(tetrafluoroborate) By journals.iucr.org Published On :: 2024-04-18 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. Full Article text
mid Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hydroxyphenyl)amino]-5,5-diphenyl-1H-imidazol-4(5H)-one By journals.iucr.org Published On :: 2024-04-26 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. Full Article text
mid Crystal structure of a three-coordinate lithium complex with monodentate phenyloxazoline and hexamethyldisilylamide ligands By journals.iucr.org Published On :: 2024-05-17 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. Full Article text
mid Crystal structure of tris{N,N-diethyl-N'-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III) By journals.iucr.org Published On :: 2024-06-11 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%). Full Article text
mid Synthesis and crystal structure of bis(2-aminobenzimidazolium) catena-[metavanadate(V)] By journals.iucr.org Published On :: 2024-06-18 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. Full Article text
mid Crystal structure and Hirshfeld surface analysis of 2-bromoethylammonium bromide – a possible side product upon synthesis of hybrid perovskites By journals.iucr.org Published On :: 2024-06-18 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. Full Article text
mid Synthesis, spectroscopic analysis and crystal structure of (N-{2-[(2-aminoethyl)amino]ethyl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tricarbonylrhenium(I) By journals.iucr.org Published On :: 2024-06-18 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). Full Article text
mid 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 By journals.iucr.org Published On :: 2024-06-25 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. Full Article text
mid Crystal structures of four thioglycosides involving carbamimidothioate groups By journals.iucr.org Published On :: 2024-07-09 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. Full Article text
mid 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) By journals.iucr.org Published On :: 2024-08-09 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. Full Article text
mid Crystal structure of bis(β-alaninium) tetrabromidoplumbate By journals.iucr.org Published On :: 2024-08-09 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. Full Article text
mid Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN4)pyridine-κN]palladium(II) dimethylformamide monosolvate By journals.iucr.org Published On :: 2024-08-16 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. Full Article text
mid Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate By journals.iucr.org Published On :: 2024-09-06 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%. Full Article text
mid 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 By journals.iucr.org Published On :: 2024-09-30 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. Full Article text
mid Synthesis, characterization, and crystal structure of hexakis(1-methyl-1H-imidazole-κN3)zinc(II) dinitrate By journals.iucr.org Published On :: 2024-09-24 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. Full Article text
mid Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphenyl)benzenesulfonamide By journals.iucr.org Published On :: 2024-09-20 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. Full Article text
mid 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 By journals.iucr.org Published On :: 2024-10-22 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. Full Article text
mid 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 By journals.iucr.org Published On :: 2024-10-04 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. Full Article text
mid Triclinic polymorph of bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetrachloridocadmium(II) By journals.iucr.org Published On :: 2024-10-04 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. Full Article text
mid Crystal structure of N,N',N''-tricyclopropylbenzene-1,3,5-tricarboxamide By journals.iucr.org Published On :: 2024-10-24 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. Full Article text
mid Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ2-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato] By journals.iucr.org Published On :: 2024-10-31 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. Full Article text
mid Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide By journals.iucr.org Published On :: 2024-10-31 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. Full Article text
mid 'Red Band Society' ads pulled from LA buses amid complaints of racism, sexism By www.scpr.org Published On :: Fri, 19 Sep 2014 08:56:27 -0700 "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." Full Article
mid Strategic Gains Amid Growth as Mining Royalty Cash Flow and Production Surge By www.streetwisereports.com Published On :: Mon, 11 Nov 2024 00:00:00 PST 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. Full Article
mid School nurse secures lifesaving device for middle schools By www.catawbacountync.gov Published On :: Fri, 25 Jan 2013 10:30:00 EST 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. Full Article News Release FYI Please Choose
mid Mid-term Assessment of Astronomy and Astrophysics Decadal Goals – New Report By Published On :: Mon, 15 Aug 2016 05:00:00 GMT 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. Full Article
mid Up to 8 Million Deaths Occur in Low- and Middle-Income Countries Yearly Due to Poor-Quality Health Care, Says New Report By Published On :: Tue, 28 Aug 2018 05:00:00 GMT 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. Full Article
mid Agencies Responsible for Everglades Restoration Should Conduct Mid Course Assessment Considering Climate Change and Sea-level Rise – New Report By Published On :: Wed, 17 Oct 2018 05:00:00 GMT 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. Full Article
mid How Can Hospitals Overcome Staffing and Supply Shortages Amid COVID-19 Surges? By Published On :: Fri, 07 Aug 2020 04:00:00 GMT 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. Full Article
mid NAS and NAM Presidents Alarmed By Political Interference in Science Amid Pandemic By Published On :: Thu, 24 Sep 2020 04:00:00 GMT 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. Full Article
mid Death Rates Rising Among Middle-Aged and Younger Americans - Report Recommends Urgent National Response By Published On :: Tue, 02 Mar 2021 05:00:00 GMT 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. Full Article
mid New Awards in Science Communication Totaling $600,000 Annually Launched by Schmidt Futures and the National Academies By Published On :: Wed, 23 Feb 2022 05:00:00 GMT 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. Full Article
mid National Academies Announce Inaugural Recipients of Eric and Wendy Schmidt Awards for Excellence in Science Communications By Published On :: Wed, 12 Oct 2022 04:00:00 GMT 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. Full Article
mid Submissions for the 2023 Eric and Wendy Schmidt Awards for Excellence in Science Communications Are Now Open By Published On :: Tue, 04 Apr 2023 04:00:00 GMT 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. Full Article
mid How Arid Viper spies on Android users in the Middle East – Week in security with Tony Anscombe By www.welivesecurity.com Published On :: Fri, 14 Jun 2024 11:58:03 +0000 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 Full Article
mid IXP companies hiking investments amid data center boom By cio.economictimes.indiatimes.com Published On :: Mon, 30 Sep 2024 05:56:40 +0530 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. Full Article
mid Germany's Scholz to meet Intel CEO amid intensive talks on chip plant By cio.economictimes.indiatimes.com Published On :: Sat, 17 Jun 2023 09:38:40 +0530 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. Full Article
mid CEOs in infrastructure and transport sector focus on ESG and Gen AI amid growth prospects: KPMG By cio.economictimes.indiatimes.com Published On :: Tue, 12 Nov 2024 09:41:29 +0530 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. Full Article
mid Encourage ethical data management amid rising concerns: Confluent’s Jay Kreps By cio.economictimes.indiatimes.com Published On :: Mon, 04 Sep 2023 09:55:29 +0530 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. Full Article
mid Fats and oils continue to weigh on consumers' packaged food choices amid pandemic pressures By www.snackandbakery.com Published On :: Tue, 29 Sep 2020 10:41:00 -0400 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. Full Article
mid State of the Industry 2022: Bakery faces formidable challenges By www.snackandbakery.com Published On :: Wed, 15 Jun 2022 10:40:00 -0400 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. Full Article
mid Middleby Bakery Group unveils $2.3 million Bakery Innovation Center By www.snackandbakery.com Published On :: Thu, 04 May 2017 07:06:00 -0400 Middleby Bakery Group hosted the grand opening of its $2.3 million Bakery Innovation Center in Plano, TX in April. Full Article
mid Middleby acquires equipment manufacturer JC Ford By www.snackandbakery.com Published On :: Mon, 04 Nov 2024 10:15:00 -0500 Founded in 1945, JC Ford is based in Columbia, TN, and has $70 million in annual revenues. Full Article
mid Ross Goldstein: Creating cooling and dehumidification using solar thermal or waste heat By www.pmmag.com Published On :: Tue, 10 May 2022 00:00:00 -0400 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. Full Article
mid Amid inflation, evaluate boiler performance for saving money By www.pmmag.com Published On :: Thu, 02 Feb 2023 00:00:00 -0500 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. Full Article
mid 5 business lessons learned amid COVID-19 By www.ishn.com Published On :: Fri, 05 Jun 2020 00:00:00 -0400 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.” Full Article