organic compounds
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In the title compound, C9H10N4OS, the dihedral angle between the benzene and 1H-1,2,4-triazole-5(4H)-thione rings is 67.51 (16)°. In the crystal, molecules are liked via N—HO hydrogen bonds, forming chains along the c-axis direction. The chains are linked via O—HS hydrogen bonds, forming corrugated layers lying parallel to the bc plane. The layers are linked via N—HN and N—HS hydrogen bonds, forming a three-dimensional network.
organic compounds
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In the title compound, C10H9ClN4S, the dihedral angle between the mean planes of the phenyl and 1H-1,2,4-triazole-5(4H)-thione rings is 25.3 (9)°. The latter ring is essentially planar, with maximum deviations of 0.010 and −0.010 Å for the ring N atom in the 4-position and ring C atom bearing the methyl group, respectively. An intramolecular C—HS contact occurs. In the crystal, pairs of weak N—HS interactions link the molecules into inversion dimers in the ac plane, forming R22(8) graph-set motifs. In addition, weak π–π interactions [centroid–centroid distances = 3.3463 (14) and 3.6127 (13)Å] are observed.
organic compounds
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In the title compound, C12H12N2OS, the dihedral angle between the benzene and thiazole rings is 83.5 (7)°. The acetamide group is almost coplanar with the thiazole ring, being twisted from it by 4.2 (9)°. In the crystal, pairs of N—HN hydrogen bonds link molecules into inversion dimers, generating R22[8] loops; the dimers are stacked along [001].
organic compounds
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The title compound, C10H10N4OS, is nearly planar with the mean planes of the hydroxybenzyl and triazole rings inclined at an angle of only 3.2 (7)°. In the crystal, O—HN hydrogen bonds between the hydroxy group and the triazole ring in concert with weak N—HS intermolecular interactions between the triazole ring and thione group form chains along [-210] enclosing R22(8) graph-set motifs. A weak intramolecular C—HS interaction and intermolecular π–π interactions [centroid–centroid distance = 3.5990 (15) Å] are also observed.
organic compounds
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3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile
In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—HO hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked via pairs of O—HN hydrogen bonds, forming inversion dimers. The dimers are linked via C—HN and C—HO hydrogen bonds, forming chains along the c-axis direction. C—HF hydrogen bonds link the chains into sheets lying parallel to the bc plane.
organic compounds
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In the title compound, C13H13NO4, the N—C(=O) bond length of 1.354 (2) Å is indicative of amide-type resonance. The dihedral angle between the mean planes of the benzene ring and oxoamine group is 36.4 (3)°, while the mean plane of the 2-methylidene group is inclined by 84.2 (01)° from that of the oxoamine group. In the crystal, classical O—HO hydrogen bonds formed by the carboxylic acid groups and weak N—HO weak interactions formed by the amide groups and supported by weak C—HO interactions between the 2-methylidene, phenyl and acetyl groups with the carboxylic acid, oxoamine and acetyl O atoms, together link the molecules into dimeric chains along [010]. The O—HO hydrogen bonds form R22(8) graph-set motifs.
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In the title compound, C22H25ClN2O, the pyrazole ring exhibits an envelope conformation with the methine C atom as the flap. The benzene rings are twisted by 3.3 (5) and 84.6 (5)° from the pyrazole mean plane, and are inclined to each other by 81.4 (4)°. In the crystal, pairs of weak C—HO hydrogen bonds form centrosymmetric dimers with an R22(16) graph-set motif. C—Hπ interactions link the dimers into columns propagating in [100].
organic compounds
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In the title compound, C21H23ClN2O, the dihedral angle between the benzene rings is 83.2 (6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043 (1) Å] makes dihedral angles of 3.4 (3) and 86.2 (1)° with the benzene rings. In the crystal, a pair of weak C—HO interactions between the benzene ring and the propan-1-one group link the molecules into an inversion dimer with an R22(16) graph-set motif. In addition, a weak π–π stacking interaction [centroid–centroid distance = 3.959 (4) Å] connects the dimers into a tape running along [201].
organic compounds
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In the title compound, C11H10BrNO3, two independent molecules (A and B) crystallize in the asymmetric unit. The dihedral angles between the mean planes of the 4-bromophenyl ring and amide group are 24.8 (7) in molecule A and 77.1 (6)° in molecule B. The mean plane of the methylidene group is further inclined by 75.6 (4) in molecule A and 72.5 (6)° in molecule B from that of the amide group. In the crystal, N—HO hydrogen bonds formed by amide groups and O—HO hydrogen bonds formed by carboxylic acid groups are observed and supported additionally by weak C—HO interactions between the methylidene and amide groups. Together, these link the molecules into chains of dimers along [110] and form R22(8) graph-set motifs.
organic compounds
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In the title compound, C20H21ClN2O, the dihedral angles between the pyrazole ring (r.m.s. deviation = 0.049 Å) and the benzene and chlorobenzene rings are 84.65 (10) and 3.35 (10)°, respectively. In the crystal, inversion dimers linked by pairs of weak C—HO interactions generate R22(16) loops. Weak π–π stacking interactions [centroid–centroid distance = 3.8490 (11) Å] are also observed.
organic compounds
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In the title compound, C18H17ClO, the dihedral angle between the benzene rings is 53.5 (1)°. The mean plane of the prop-2-en-1-one group is twisted by 24.5 (8) and 33.5 (3)° from the chloro- and propanyl-substituted rings, respectively.
Keywords: crystal structure.