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3-Acetyl-5-methyl-1-(4-methyl-phen-yl)-1H-pyrazole-4-carboxamide.

ABSTRACT: In the title compound, C(14)H(15)N(3)O(2), the phenyl-ene ring is disordered over two orientations. As a result, the almost planar pyrazole ring (r.m.s. deviation = 0.004?Å) forms dihedral angles of 59.8?(1) and -61.9?(1)° with the two orientations of the phenyl-ene ring. The dihedral angle between the two orientations is 59.2?(1)°. In the crystal, inversion dimers lined by pairs of N-H?O hydrogen bonds occur; there is also an intramolecular N-H?O bond.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3009041 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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3-Acetyl-5-methyl-1-(4-methyl-phen-yl)-1H-pyrazole-4-carboxamide.

Abdel-Aziz Hatem A HA Bari Ahmed A Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

In the title compound, C(14)H(15)N(3)O(2), the phenyl-ene ring is disordered over two orientations. As a result, the almost planar pyrazole ring (r.m.s. deviation = 0.004 Å) forms dihedral angles of 59.8 (1) and -61.9 (1)° with the two orientations of the phenyl-ene ring. The dihedral angle between the two orientations is 59.2 (1)°. In the crystal, inversion dimers lined by pairs of N-H⋯O hydrogen bonds occur; there is also an intramolecular N-H⋯O bond. ...[more]

PMID: 21589170

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