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1-Methyl-5-(4-methyl-phen-yl)-3-oxo-cyclo-hexane-1-carbonitrile.

ABSTRACT: In the title mol-ecule, C(15)H(17)NO, the cyclo-hexane ring adopts a chair conformation. The cyano and methyl groups at position 1 have axial and equatorial orientations, respectively. The benzene ring has an equatorial orientation. A C-H?? inter-action involving the benzene ring is found in the crystal structure.

SUBMITTER: Mohan RT

PROVIDER: S-EPMC2961276 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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1-Methyl-5-(4-methyl-phen-yl)-3-oxo-cyclo-hexane-1-carbonitrile.

Mohan R T Sabapathy RT Kamatchi S S Subramanyam M M Thiruvalluvar A A Linden A A

Acta crystallographica. Section E, Structure reports online 20080410 Pt 5

In the title mol-ecule, C(15)H(17)NO, the cyclo-hexane ring adopts a chair conformation. The cyano and methyl groups at position 1 have axial and equatorial orientations, respectively. The benzene ring has an equatorial orientation. A C-H⋯π inter-action involving the benzene ring is found in the crystal structure. ...[more]

PMID: 21202308

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