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N-(4-Acetyl-3-methyl-1-phenyl-1H-pyrazol-5-yl)-N-methyl-2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide.

ABSTRACT: In the title compound, C29H25N5O3, the dihedral angle between the benzene ring and the pendant quinazoline ring system (r.m.s. deviation = 0.036Å) is 87.60?(17)°. The equivalent angle between the pyrazole ring and the phenyl group is 70.0?(2)°. The dihedral angle between the benzene and pyrazole rings is 30.7?(2)° and overall, the mol-ecular conformation approximates to a Z shape. A short intra-molecular C-H?O contact occurs. In the crystal, the mol-ecules are linked by C?-H?O-type hydrogen bonds and aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.860?(3)?Å], generating a three-dimensional network.

SUBMITTER: Meneghetti F

PROVIDER: S-EPMC3790439 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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N-(4-Acetyl-3-methyl-1-phenyl-1H-pyrazol-5-yl)-N-methyl-2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide.

Meneghetti Fiorella F Maggio Benedetta B

Acta crystallographica. Section E, Structure reports online 20130925 Pt 10

In the title compound, C29H25N5O3, the dihedral angle between the benzene ring and the pendant quinazoline ring system (r.m.s. deviation = 0.036Å) is 87.60 (17)°. The equivalent angle between the pyrazole ring and the phenyl group is 70.0 (2)°. The dihedral angle between the benzene and pyrazole rings is 30.7 (2)° and overall, the mol-ecular conformation approximates to a Z shape. A short intra-molecular C-H⋯O contact occurs. In the crystal, the mol-ecules are linked by Cπ-H⋯O-type hydrogen bond ...[more]

PMID: 24098258

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