In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth-oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazol...

In the title mol-ecule, C19H20N2O2, the imidazole ring makes dihedral angles of 57.29 (5) and 31.54 (5)° with the attached di-meth-oxy-phenyl residue and the phenyl ring, respectively. The dihedral angle between the di-meth-oxy-phenyl and phenyl rings is 61.15 (5)°. In the crystal, pairs of C-H⋯N hydrogen bonds connect the mol-ecules into inversion dimers.

Considerable interest has been focused on the triazole structure, which has been known to possess a broad spectrum of biological activities such as antitumor, anti-inflammatory, antimicrobial, antiviral, and anticonvulsant activities. Before this, several heterocyclic compounds containing triazole were synthesized that had shown considerable anticonvulsant activity. As part of our continuous re...

The title compound, C(25)H(19)N(3), is composed of an aryl-substituted pyrazole ring connected to an aryl-substituted isoquinoline ring system with a dihedral angle of 52.7 (1)° between the pyrazole ring and the isoquinoline ring system. The dihedral angle between the pyrazole ring and the phenyl ring attached to it is 27.4 (1)° and the dihedral angle between the isoquinoline ring system and th...

In the title compound, C(14)H(10)FN(3), the imidazole ring makes dihedral angles of 28.2 (1) and 36.60 (9)° with the pyridine ring and the 4-fluoro-phenyl ring, respectively. The pyridine ring forms a dihedral angle of 44.68 (9)° with the 4-fluoro-phenyl ring. Inter-molecular N-H⋯N hydrogen bonds are observed in the crystal structure.

The title compound, C19H20N4O3S, was synthesized by refluxing equimolar amounts of 1-phenyl-3-methyl-4-propionylpyrazol-5-one and benzene-sulfonyl hydrazide in ethanol. The compound crystallizes in the keto form and the carbonyl O atom forms an intra-molecular N-H⋯O hydrogen bond with the neighbouring NH group. There is also C-H⋯O short contact involving the neighbouring phenyl ring. Probably a...

In the mol-ecule of the title compound, C(18)H(16)N(4)O, the intra-molecular N-H⋯N hydrogen bond results in the formation of a planar five-membered ring, which is also co-planar with the adjacent five-membered ring, being oriented at a dihedral angle of 1.23 (3)°. The dihedral angles formed by the planar pyrazole ring with the adjacent phenyl ring and the other phenyl ring are 7.29 and 11.21°, ...

In the title compound, C(31)H(30)N(2)O(2)S, the pyrrolidine ring adopts a twist conformation while the tetra-hydro-pyridine ring is in a half-chair conformation. The two rings are trans-fused. The pyridine-bound phenyl ring forms dihedral angles of 17.7 (1) and 48.1 (1)°, respectively, with the tosyl and benzyl phenyl rings. The mol-ecular structure is stabilized by an N-H⋯π inter-action involv...

The 4-meth-oxy-phenyl residue in the title compound, C(21)H(19)NO(2), is oriented at a dihedral angle of 54.6 (5)° with respect to the phenyl ring and at a dihedral angle of 52.5 (8)° with respect to the pyrrole ring of the pyrrolizine system. The phenyl ring is oriented at a dihedral angle of 36.2 (5)° with respect to the pyrrole ring. The meth-oxy group makes a C-C-O-C torsion angle of 3.8 (9...

Conformations and electronic properties of a series of imidazobenzodiazepines are investigated by AM1 semi-empirical quantum mechanics method. It is shown that substitution of Cl in position 7 instead of 8, changes the geometry of the seven membered lactam ring; this may put the N5 nitrogen in a better positon to act as a hydrogen bond acceptor, and the phenyl ring in position 6 is probably...