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3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one.

ABSTRACT: In the title compound, C(14)H(16)ClNO, the dihedral angle between the benzene ring and the conjugated part of the cyclo-hexene ring is 61.7?(2)°. Part of the cyclo-hexene ring and one of the attached methyl groups are disordered over two orientations with occupancies of 0.602?(7) and 0.398?(7). In addition, the crystal studied was a racemic twin [Flack parameter = 0.58?(4)]. In the crystal, the mol-ecules are linked into chains in the b-axis direction by inter-molecular N-H?O hydrogen bonds. C-H?O and C-H?Cl inter-actions are also observed.

SUBMITTER: North H

PROVIDER: S-EPMC3089366 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one.

North Henry H Wutoh Kwame K Odoom M'egya K MK Karla Pradeep P Scott Kenneth R KR Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5

In the title compound, C(14)H(16)ClNO, the dihedral angle between the benzene ring and the conjugated part of the cyclo-hexene ring is 61.7 (2)°. Part of the cyclo-hexene ring and one of the attached methyl groups are disordered over two orientations with occupancies of 0.602 (7) and 0.398 (7). In addition, the crystal studied was a racemic twin [Flack parameter = 0.58 (4)]. In the crystal, the mol-ecules are linked into chains in the b-axis direction by inter-molecular N-H⋯O hydrogen bonds. C-H ...[more]

PMID: 21754564

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3-(4-Chloro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one.

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