45 research outputs found
4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]amino}-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C12H10N6S, a weak intramolecular C—H⋯S hydrogen bond stabilizes the molecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8)°. The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, intermolecular N—H⋯N and N—H⋯S hydrogen bonds link molecules into chains propagating in [20]
(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
In the title compound, C24H15Cl2N3O3, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C—H⋯O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest intercentroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further π–π interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å]
4-Amino-3-[(4-methoxyphenyl)aminomethyl]-1H-1,2,4-triazole-5(4H)-thione
The molecule of the title compound, C10H13N5OS, is approximately planar, the dihedral angle between the triazole and benzene rings being 4.53 (10)°. The amino group adopts a pyramidal configuration. In the crystal structure, molecules are linked into two-dimensional networks parallel to (001) by intermolecular N—H⋯S and N—H⋯N hydrogen bonds. In addition, an S⋯S short contact of 3.3435 (7) Å is observed
(E)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
In the title molecule, C25H18Cl2N2O2, the dihedral angles between the pyrazole ring and its N- and C-bonded benzene rings are 8.28 (11) and 40.89 (10)°, respectively. The dihedral angle between the benzene rings is 39.03 (11)°. The title molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, molecules are linked into inversion dimers by pairs of intermolecular C—H⋯O hydrogen bonds, generating R
2
2(14) loops
2-(4-Methylanilino)acetohydrazide
In the title molecule, C9H13N3O, the non-hydrogen atoms of the hydrazide group are essentially planar [maximum deviation = 0.028 (1) Å for one of the N atoms]. The mean plane of this group forms a dihedral angle of 83.34 (5)° with the plane of the benzene ring. In the crystal structure, molecules are linked by intermolecular N—H⋯O, N—H⋯N and weak C—H⋯N hydrogen bonds into a two-dimensional network parallel to the ab plane. Additional stabilization is provided by a weak C—H⋯π interaction
Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C22H25N3O4, the dihydropyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5)° with the benzene ring. The molecular structure is stabilized by an intramolecular C—H⋯O hydrogen bond which generates an S(9) ring motif. In the crystal, molecules are linked via N—H⋯O and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C—H⋯π interactions
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
(2E)-2-(4-Fluorobenzylidene)hydrazinecarboxamide
In the title compound, C8H8FN3O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020 (1) Å, and subtends a dihedral angle of 16.63 (9)° with its attached fluorobenzene ring. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming layers lying parallel to the bc plane
Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C20H21N3O4, the 1,4-dihydropyridine ring adopts a boat conformation. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7)° with the mean plane of the 1,4-dihydropyridine ring and the phenyl ring, respectively. In the crystal, molecules are linked by N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds into a three-dimensional network
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