metal-organic compounds
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In the title hydrated mixed-cation salt, (C5H8N3)2[Co(H2O)6](SO4)2·2H2O, the complete octahedral hexaaqua complex cation is generated by crystallographic inversion symmetry. In the crystal, the components are linked by O—HO and N—HO hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R22(8) loops. These, together with π–π interactions between centrosymmetrically related pyrimidinium cations [centroid–centroid separation = 3.5460 (8) Å], lead to the formation of a three-dimensional network.
organic compounds
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The title molecular salt, C7H7N2+·NO3−, displays an interpenetrating sheet structure parallel to a with each sheet containing nearly coplanar cations and anions, each ion being bisected by a crystallographic mirror plane. C—HO hydrogen bonds involving both ring and methyl H atoms in addition to cation–cation C—HN hydrogen bonds (ring H to cyano N) serve to link the sheets together. In each set of parallel layers, the cations and anions stack with short distances of 3.094 (2) (between aligned nitrate N and pyridine N atoms) and 3.057 (2) Å (between a nitrate O atom and the ring centroid). This motif is strikingly similar to the one that features in the isomeric salt 2-cyano-1-methylpyridinium nitrate.
organic compounds
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In the title compound, C14H17NO3, the nine-membered 1H-indole ring system is essentially planar [maximum deviation = 0.019 (1) Å]. In the crystal, molecules are linked via N—HO hydrogen bonds, forming chains along [001]. These chains are linked via C—HO hydrogen bonds and C—Hπ interactions, forming a two-dimensional network lying parallel to the ac plane.
organic compounds
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In the title compound, C13H15N3S, the 4,5-dihydro-3H-1,2,4-triazole ring is nearly planar [maximum deviation = 0.020 (1) Å], while the cyclohexane ring adopts a chair conformation. The dihedral angle between the 4,5-dihydro-3H-1,2,4-triazole ring and the phenyl ring is 74.68 (7)°. No specific intermolecular interactions are discerned in the crystal packing.
organic compounds
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The cation in the title compound, C7H7N2+·I−, is planar (r.m.s. deviation for the nine fitted non-H atoms = 0.040 Å). The crystal packing is best described as undulating layers of cations and anions associated via C—HI interactions.
organic compounds
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The solid-state structure of the title salt, C7H7N2+.I−, consists of cation–anion sheets lying parallel to (110), with the components linked by N—HI hydrogen bonds.
organic compounds
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In the title compound, C24H21N3S, the thiazole ring makes dihedral angles of 52.03 (6), 62.63 (6) and 12.35 (6)°, respectively, with the two phenyl rings and the benzene ring. In the crystal, weak C—Hπ interactions occur between inversion-related molecules.
organic compounds
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The asymmetric unit of the title compound, C21H19N3O3S, contains two independent molecules. In one molecule, the 1,3-thiazolidine ring forms dihedral angles of 86.19 (8) and 8.37 (8)° with the phenyl and benzene rings, respectively. The corresponding dihedral angles in the other molecule are 69.60 (7) and 14.08 (7)°. The dihedral angle between the phenyl and benzene rings is 84.70 (8)° in one molecule and 69.62 (8)° in the other. In the crystal, molecules pack in layers approximately parallel to (10-2). There are weak C—HO hydrogen bonds within these layers. Further weak C—HO hydrogen bonding occurs between the layers to form a three-dimensional network. A weak C—Hπ interaction is also observed.
organic compounds
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The title compound, C21H21N3O2, adopts a J-shaped conformation which appears to be at least partially directed by a weak intramolecular C—HN hydrogen bond. In the crystal, molecules are linked by N—HO hydrogen bonds into R22(8) and R22(14) cyclic dimers, which form a chain running parallel to the b axis.
organic compounds
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In the title compound, C20H17N3O4S, all non-H atoms, except those of the phenyl ring, are approximately coplanar [maximum deviation = 0.2214 (1) Å], and the dihedral angle between their best plane and the benzene ring is 53.13 (1)°. A short intramolecular OS contact of 2.838 (1) Å is formed between the ester carbonyl O atom and the S atom of the thiazolidine ring. In the crystal, molecules associated via O—HO, C—HO and C—HS hydrogen bonds form layers parallel to (010), with only C—HO-type short contacts between the molecules in adjacent layers.
organic compounds
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In the title compound, C24H20BrN3S, the dihydrothiazole ring is approximately planar, with a maximum deviation of 0.008 (2) Å, and is twisted with respect to the 4-bromophenyl ring, the phenyl ring and methylphenyl ring, making dihedral angles of 47.96 (8), 59.52 (9) and 16.96 (9)°, respectively. In the crystal, weak C—Hπ interactions link inversion-related molecules into supramolecular dimers.
organic compounds
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The title molecule, C21H20N2O2, exists in the solid state in the `extended' form. The crystal packing consists of ribbons of molecules extending parallel to c and associated via N—HO and weak C—HO hydrogen bonds. C—Hπ interactions are also present.
organic compounds
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The conformation adopted by the title compound, C20H21N3O3, in the crystal is `J'-shaped and appears to be at least partially directed by a weak intramolecular C—HN hydrogen bond. In the crystal, molecules are linked by N—HO hydrogen bonds, forming dimers with R22(8) motifs. Furthermore, these dimers connect to each other via C—HO and N—HO hydrogen bonds to form a three-dimensional network.
organic compounds
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The molecule of the title compound, C26H24N4O7S, adopts a trans conformation about the central N—N bond, presumably to minimize steric between the substituents on these two atoms. An intramolecular N—HO hydrogen bond occurs. The phenyl ring is disordered over two sets of sites, with an occupancy ratio of 0.624 (8):0.376 (8). The azolidine ring is essentially planar [maximum deviation = 0.008 (5) Å] and makes a dihedral angle of 4.3 (2)° with the benzene ring and dihedral angles of 74.1 (3) and 69.1 (5)°, respectively, with the mean planes of the major and minor components of the disordered phenyl ring. The packing in the crystal is aided by the formation of several weak C—HO and C—HN interactions.
organic compounds
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In the title compound, C6H4N4S3, the 1,3,4-thiadiazole ring is essentially planar, with an r.m.s. deviation of 0.001 Å. The two N—C—S—C torsion angles in the molecule are −23.41 (15) and 0.62 (14)°. One acetonitrile group is above the plane of the 1,3,4-thiadiazole ring and the other is below it, indicating syn and anti orientations. In the crystal, C—HN hydrogen bonds link the molecules into ribbons along [010].