metal-organic compounds
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The asymmetric unit of title salt co-crystal, [K(C9H11N2S2)(C12H24O6)], comprises a K+ cation, an −S2CN(Et)py anion and a 18-crown-6 molecule. Substantial delocalization of π-electron density is evident in the dithiocarbamate anion, as indicated by the equivalent C—S bond lengths. The K+ cation sits within an O6S2 donor set lying 0.7506 (6) Å out of the least-squares plane through the six O atoms (r.m.s. deviation = 0.1766 Å) of the 18-crown-6 molecule with the two S atoms being on one side of this plane. Supramolecular layers in the bc plane, sustained by C—HO and C—Hπ interactions, feature in the crystal packing.
organic compounds
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The title hydrated salt, C6H6NO2+·C10H5O8−·H2O, was isolated from the 1:1 cocrystallization of benzene-1,2,4,5-tetracarboxylic acid and isonicotinic acid in ethanol solution. In the crystal, the cation is close to planar [r.m.s. deviation = 0.085 Å for the nine fitted atoms; the C—C—C—O(carbonyl) torsion angle = −8.7 (4)°], but twists are evident in the anion, with all but the carboxylic acid group diagonally opposite the carboxylate group being significantly twisted out of the plane of the benzene ring [C—C—C—O(carbonyl) torsion angles = −118.1 (2), −157.6 (2), 4.3 (3) and 77.3 (3)°]. In the crystal, the ions and water molecules are consolidated into a three-dimensional architecture by O—HO and N—HO hydrogen bonding along with C—HO interactions.
organic compounds
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The asymmetric unit of the title co-crystal, C10H6O8·2C8H10N4O2, comprises a centrosymmetric benzene-1,2,4,5-tetracarboxylic acid (LH4) molecule and a molecule of caffeine in a general position. LH4 is nonplanar, with the dihedral angles between the ring and pendent carboxylic acid groups being 44.22 (7) and 49.74 (7)°. By contrast, the caffeine molecule is planar (r.m.s. deviation = 0.040 Å). Supramolecular layers parallel to (-1-10) are sustained by carboxylic acid O—HO(carbonyl) and O—HN(imidazole) hydrogen bonds, as well as by methyl–carbonyl C—HO interactions. These stack via π–π interactions between the benzene and imidazole rings [inter-centroid distance = 3.4503 (10) Å].
organic compounds
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The asymmetric unit of the title co-crystal, 2C14H13N2+·C10H4O82−·2C14H12N2·C10H6O8, comprises a 2,9-dimethyl-1,10-phenanthrolin-1-ium cation (Me2PhenH+) and a 2,9-dimethyl-1,10-phenanthroline molecule (Me2Phen), each in a general position, and half each of a 2,5-dicarboxybenzene-1,4-dicarboxylate dianion (LH22−) and a benzene-1,2,4,5-tetracarboxylic acid molecule (LH4), each being disposed about a centre of inversion. Small twists are evident in the dianion [the C—C—C—O torsion angles are 168.41 (18) and 16.2 (3)°], whereas a major twist is found for one carboxylic acid group in the neutral molecule [C—C—C—O = 66.3 (2) and 18.2 (3)°]. The most prominent feature of the crystal packing is the formation of linear supramolecular chains along [001] mediated by charge-assisted O—HO− hydrogen bonding between alternating LH4 and LH22−. These are connected to the Me2PhenH+ and Me2Phen species by N—HO and O—HN hydrogen bonds, respectively. A three-dimensional architecture is formed by C—HO and π–π interactions [inter-centroid distance = 3.5337 (17) Å].
organic compounds
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The asymmetric unit of title co-crystal, C10H8N2·2C7H7NO2, comprises a centrosymmetric 4,4′-bipyridine molecule, and a 2-aminobenzoic acid molecule in a general position. The latter is effectively planar [C—C—C—O torsion angle = 5.0 (3)°] owing to an intramolecular N—HO(carbonyl) hydrogen bond. Three-molecule aggregates are formed via O—HN(pyridyl) hydrogen bonds and these are connected into supramolecular layers in the bc plane by N—HO(carbonyl) hydrogen bonds and π–π interactions between pyridyl and benzene rings [inter-centroid distance = 3.634 (2) Å]. Layers are connected along the a axis by weak π–π interactions between benzene rings [3.964 (2) Å].
organic compounds
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The asymmetric unit of title co-crystal, C14H16N4S22+·2C7H3N2O6−·4C7H4N2O6, comprises a centrosymmetric dipyridinium dication, a 2,6-dinitrobenzoate anion and two independent 2,6-dinitrobenzoic acid molecules. The pyridinium rings are each approximately perpendicular to the central dithioamide unit [dihedral angle = 80.67 (12)°]. The carboxylate/carboxylic acid groups are approximately perpendicular to the benzene ring to which they are attached [dihedral angles = 78.85 (16), 81.46 (19) and 71.28 (15)°]. By contrast, the major twist exhibited by a nitro group is manifested in a dihedral angle of 32.66 (17)°. The most prominent feature of the crystal packing is linear supramolecular chains along [1-10], featuring O—HO(carboxylate) and pyridinium-N—HO hydrogen bonds. These are consolidated into a three-dimensional architecture by thioamide–nitro N—HO, C—HO and π–π [inter-centroid distance = 3.524 (2) Å] interactions. One of the nitro O atoms was refined over two sites; the major site was 0.65 (7) occupied.
organic compounds
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The asymmetric unit of the title salt, C12H14N22+·2C7H3N2O6−, comprises half a 4-[2-(pyridin-1-ium-4-yl)ethyl]pyridin-1-ium dication, being disposed about a centre of inversion, and a 2,6-dinitrobenzoate anion, in a general position. In the anion, the carboxylate group is inclined to the benzene ring [dihedral angle = 85.45 (9)°], whereas near-coplanar and twisted arrangements are found for the nitro groups [O—N—C—C torsion angles = 179.80 (14) and 20.2 (2)°]. In the crystal, three-component aggregates sustained by charge-assisted N+—HO− hydrogen bonds are found and these are consolidated into a three-dimensional architecture by C—HO and π–π [inter-centroid distances = 3.6796 (14) and 3.7064 (14) Å] interactions.
organic compounds
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The asymmetric unit of the title co-crystal, C12H14N4O2S·0.5C6H12N2, comprises the sulfonamide molecule and half a molecule of 1,4-diazabicyclo[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide molecule, the aromatic rings are almost perpendicular to one another [dihedral angle = 75.01 (8)°]. In the crystal, molecules are connected into a three-molecule aggregate via amide–DABCO N—HN hydrogen bonds, and these are connected into a three-dimensional architecture via amino–DABCO N—HO and amino-pyrimidine N—HN hydrogen bonds.
organic compounds
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The asymmetric unit of the title co-crystal, C12H12N2·2C7H7NO2, comprises a centrosymmetric 4-[2-(pyridin-4-yl)ethyl]pyridine molecule and a 2-aminobenzoic acid molecule in a general position. The acid has a small twist between the carboxylic acid residue and the ring [dihedral angle = 7.13 (6)°] despite the presence of an intramolecular N—HO(carbonyl) hydrogen bond. Three-molecule aggregates are formed via O—HN(pyridyl) hydrogen bonds, and these are connected into supramolecular layers in the bc plane by N—HO(carbonyl) hydrogen bonds and π–π interactions between pyridine and benzene rings [inter-centroid distance = 3.6332 (9) Å]. Layers are connected along the a axis by weak π–π interactions between benzene rings [3.9577 (10) Å].