organic compounds
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In the title compound, C19H18N4O4, the nitrophenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group, with a C—N—C—C torsion angle of 177.54 (13)°, is twisted away from the plane of the pyrazole ring in an antiperiplanar conformation. In the crystal, N—HO hydrogen bonds involving the carbonyl group on the pyrazole ring and the amide group, together with weak C—HO interactions forming R22(10) graph-set motifs, link the molecules into chains along [100]. Additional weak C—HO interactions involving the nitrophenyl rings further link the molecules along [001], also forming R22(10) graph-set motifs, thereby generating (010) layers.
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.
data reports
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In the title molecule, C17H15ClN4S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N—HS hydrogen bonds form inversion dimers with graph-set notation R22(8). Weak C—HS hydrogen bonds link these dimers into layers parallel to (100). Weak intramolecular C—HS and C—HN contacts are observed.