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3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile.

ABSTRACT: The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31?(8) and 57.24?(8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03?(8)°. The pyrazole ring and the C-C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95?(18)°. In the crystal, mol-ecules are linked through weak C-H?N and C-H?O inter-actions into a helical chain along the a-axis direction.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3344048 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile.

Abdel-Aziz Hatem A HA Ghabbour Hazem A HA Chantrapromma Suchada S Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120317 Pt 4

The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C-C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, mol-ecules are linked through weak C-H⋯N and C-H⋯O inter-actions into a helical chain along the a-axis direction. ...[more]

PMID: 22589957

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