90 research outputs found
(1Z)-1-(2,4-Dichlorophenyl)ethan-1-one semicarbazone
In the title compound, C9H9Cl2N3O, the semicarbazone group is approximately planar, with an r.m.s deviation from the mean plane of 0.011 (2) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 38.76 (9)°. The crystal structure is further stabilized by N—H⋯O and C—H⋯O hydrogen bonding
Diethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C22H24ClN3O4, intramolecular C—H⋯O and C—H⋯N hydrogen bonds form S(9) and S(7) ring motifs, respectively. The 1,4-dihydropyridine ring adopts a flattened boat conformation. The benzene ring makes a dihedral angle of 33.36 (6)° with the pyrazole ring. In the crystal, pairs of N—H⋯N hydrogen bonds link the molecules into inversion dimers. The dimers are stacked in column along the a axis through N—H⋯O and C—H⋯N hydrogen bonds. The crystal packing also features C—H⋯π interactions involving the pyrazole ring
2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
In the title compound, C17H15ClO5, the benzene rings forms a dihedral angle of 74.45 (10)°. In the crystal, molecules are linked into C(13) chains along [011] via C—H⋯O hydrogen bonds. The crystal packing also features short Cl⋯Cl contacts of 3.1253 (10) Å
2-(4-Chloroanilino)-1-(4-chlorophenyl)ethanone
In the title compound, C14H11Cl2NO, the benzene rings form a dihedral angle of 3.14 (6)°. Overall, the molecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054 Å). No significant directional intermolecular interactions are observed in the crystal structure
Diethyl 4-[2-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C23H27N3O5, the pyrazole ring is inclined at dihedral angles of 38.16 (6) and 80.80 (6)°, respectively, to the least-squares planes of the benzene and dihydropyridine rings. In the crystal, adjacent molecules are linked via a pair of N—H⋯N hydrogen bonds, forming an inversion dimer. The dimers are stacked in a column along the a axis through N—H⋯O hydrogen bonds. Intra- and intermolecular C—H⋯N and C—H⋯O hydrogen bonds are also observed
Diethyl 4-[5-(biphenyl-4-yl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate
In the title compound, C28H29N3O4·C2H6O, the benzene ring makes dihedral angles of 33.72 (13) and 32.86 (13)°, respectively, with the adjacent pyrazole and phenyl rings. In the crystal, the components are connected via intermolecular N—H⋯O, N—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds, forming a layer parallel to the bc plane
4-Amino-3-(p-tolyloxymethyl)-1H-1,2,4-triazole-5(4H)-thione
In the title triazole compound, C10H12N4OS, the triazole ring is essentially planar [maximum deviation = 0.009 (1) Å] and forms a dihedral angle of 5.78 (4)° with the benzene ring. In the crystal structure, molecules are linked into dimers by centrosymmetric N—H⋯S interactions. These dimers are linked into two-molecule-wide tapes by N—H⋯N and S⋯S [3.2634 (3) Å] interactions. In addition, they are further interconnected by weak N—H⋯S interactions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak intermolecular C—H⋯π interactions
2-Chloro-4-methylpyridin-3-amine
Geometric parameters of the title compound, C6H7ClN2, are in the usual ranges. The molecular structure shows one intramolecular N—H⋯Cl contact and the crystal packing is stabilized by an intermolecular N—H⋯N hydrogen bond
4-Amino-3-(1-naphthyloxymethyl)-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C13H12N4OS, the dihedral angle between the triazole and naphthalene ring systems is 67.42 (5)°. In the crystal, adjacent molecules are linked via two pairs of intermolecular N—H⋯S interactions, forming R
2
2(8) and R
2
2(10) ring motifs. Weak C—H⋯S interactions generate infinite chains along [001] and the structure is further consolidated by C–H⋯π bonds and aromatic π⋯π stacking interactions [distance between the centroids of the triazole rings = 3.2479 (7) Å]
(2E)-1-(3-Methyl-2-thienyl)-3-(3-nitrophenyl)prop-2-en-1-one
Chalcones are a major class of natural products having interesting pharmaceutical activities. The title compound, C14H11NO3S, is of interest as a potential bioactive agent. The central acyclic C=C double bond is trans configured. All non-H atoms lie in a common plane (r.m.s. deviation 0.075 Å). In the crystal structure, the molecules form a herringbone pattern
- …