37 research outputs found
4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
In the title compound, C24H20ClF2N3O3S, the essentially planar triazole ring (r.m.s. deviation = 0.001 Å) forms dihedral angles of 22.35 (10), 68.17 (10) and 42.01 (10)° with the mean planes of the trimethoxyphenyl, chlorophenyl and difluorophenyl rings, respectively. A weak intramolecular C—H⋯π interaction occurs. In the crystal, molecules are linked into sheets lying parallel to the bc plane by C—H⋯O and C—H⋯N hydrogen bonds. The crystal packing also features weak C—H⋯π interactions
5-[(4-Methoxybenzyl)sulfanyl]-2-methyl-1,3,4-thiadiazole
The title molecule, C11H12N2OS2, is twisted with a dihedral angle of 83.63 (12)° between the 1,3,4-thiadiazole and benzene rings. The methoxy group deviates slightly from the attached benzene ring, with a C—C—O—C torsion angle of 4.2 (4)°. In the crystal, molecules are linked by weak C—H⋯N interactions and stacked along the c axis
1-Dibromomethyl-4-methoxy-2-nitrobenzene
The asymmetric unit of the title compound, C8H7Br2NO3, comprises two crystallographically independent molecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in molecules A and B, respectively. In each molecule, the dibromomethyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An interesting features of the crystal structure is the two short Br⋯Br interactions which, together with intermolecular C—H⋯O hydrogen bonds, link the molecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C—H⋯π interactions
2-Methyl-5-[(3-methyl-4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole
The molecule of the title thiadiazole derivative, C11H11N3O2S2, has a butterfly-like structure and the whole molecule is disordered with a site-occupancy ratio of 0.629 (4):0.371 (4). The molecule is disordered in such a way that the 3-methyl-4-nitrophenyl units of the major and minor components are approximately related by 180° rotation around the C—N bond axis. The dihedral angle between the 1,3,4-thiadiazole and benzene rings is 70.8 (4)° in the major component and 74.9 (6)° in the minor component. In the crystal, molecules are arranged into screw chains along the c axis. These chains are stacked along the b axis. Weak intermolecular C—H⋯O and C—H⋯π interactions and a short C⋯O contact [3.005 (7) Å] are present
4-(o-Tolyl)piperazin-1-ium chloride
In the title molecular salt, C11H17N2
+·Cl−, the piperazin-1-ium ring adopts a chair conformation with the aromatic ring in a pseudo-equatorial orientation. The dihedral angle between the benzene ring and the mean plane of the piperazin-1-ium ring is 51.22 (6)°. In the crystal, N—H⋯Cl hydrogen bonds link the molecules into chains propagating in [100]. Weak C—H⋯π interactions also ocur
4-(1,2,4-Triazol-1-yl)aniline
In the title compound, C8H8N4, the dihedral angle between the triazole ring [maximum deviation = 0.003 (1) Å] and the benzene ring is 34.57 (7)°. In the crystal, molecules are linked into sheets lying parallel to the ac plane via intermolecular N—H⋯N and C—H⋯N hydrogen bonds. Aromatic π–π [centroid–centroid distance = 3.6750 (8) Å] stacking and N—H⋯π interactions are also observed
5-Dimethylamino-N,N-dimethyl-2-nitrobenzamide
In the title compound, C11H15N3O3, one of the methyl groups attached to the benzamide unit is slightly twisted with a C—N—C—C torsion angle of 4.04 (13)°. The crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds together with a weak C—H⋯π interaction
1-Cyclohexyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
In the title compound, C17H20N2O3, the methoxyphenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)° with the benzene rings of its major and minor components, respectively. The cyclohexane ring adopts a chair conformation and its C—N bond is in an equatorial orientation. In the crystal, molecules are linked into inversion dimers by pairs of O—H⋯O hydrogen bonds, generating R
2
2(8) loops
Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxylate
The asymmetric unit of the title compound, C18H16N2O2, contains two independent molecules (A and B). In molecule A, the pyrazole ring is inclined at angles of 48.86 (6) and 60.80 (6)° with respect to the two phenyl rings; the corresponding angles for molecule B are 46.86 (6) and 58.63 (6)°. In the crystal, molecules of type A are linked into sheets parallel to (001) via weak C—H⋯O hydrogen bonds, whereas the molecules of type B are linked into chains along [010] via weak C—H⋯O hydrogen bonds
2,6-Dichloro-3-nitropyridine
The asymmetric unit of the title compound, C5H2Cl2N2O2, consists of two crystallographically independent molecules. The pyridine ring in each molecule is essentially planar, with maximum deviations of 0.004 (4) and 0.007 (4) Å. Short Cl⋯O [3.09 (3) and 3.13 (4) Å] and Cl⋯Cl [3.38 (12) Å] contacts were observed. No significant intermolecular interactions were observed in the crystal packing