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3-Anilino-5,5-di-methyl-cyclo-hex-2-enone.

ABSTRACT: In the title mol-ecule, C14H17NO, the 5,5-di-methyl-cyclo-hex-2-enone moiety is attached to an aniline group, the dihedral angle subtended [54.43?(3)°] indicating a significant twist. The hexaneone ring has a half-chair conformation with the C atom bearing two methyl groups lying 0.6384?(8)?Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0107?Å). The crystal packing can be described as alternating layers parallel to (-101), which are consolidated by N-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Boulebd H

PROVIDER: S-EPMC3998468 | BioStudies | 2014-01-01T00:00:00Z

REPOSITORIES: biostudies

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Project description:The six-membered cyclo-hexene ring in the title compound, C(26)H(37)Cl(2)NOS(2), adopts an envelope-shaped conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.658?(7)?Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.005?Å). The mol-ecular conformation is stabilized by an N-H?S hydrogen bond.

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