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(E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl-idene]cyclo-hexa-none.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(18)N(2)O, contains two independent mol-ecules. In both, the cyclo-hexane ring adopts a flattened chair conformation, and the 3- and 4-methyl-ene C atoms as well as the methyl C atoms are disordered over two positions, the occupancy of the major component being 68 (1)% in one mol-ecule and 64 (1)% in the other. The phenyl and pyrazole rings in both mol-ecules are approximately coplanar, the r.m.s. deviations being 0.048 and 0.015 Å, respectively. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3151926 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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(E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl-idene]cyclo-hexa-none.

Asiri Abdullah M AM Faidallah Hassan M HM Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The asymmetric unit of the title compound, C(17)H(18)N(2)O, contains two independent mol-ecules. In both, the cyclo-hexane ring adopts a flattened chair conformation, and the 3- and 4-methyl-ene C atoms as well as the methyl C atoms are disordered over two positions, the occupancy of the major component being 68 (1)% in one mol-ecule and 64 (1)% in the other. The phenyl and pyrazole rings in both mol-ecules are approximately coplanar, the r.m.s. deviations being 0.048 and 0.015 Å, respectively. ...[more]

PMID: 21837019

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