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2-(4-Methyl-phen-yl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexa-hydro-1H-benzo[f]iso-indole-6-carbo-nitrile.

ABSTRACT: In the title compound, C26H22N2O, one phenyl ring, one five-membered N-heterocyclic ring and one six-membered carbocyclic ring make up the hexa-hydro-benzo[f]iso-indole core. Another phenyl group is attached to the heterocyclic N atom as a substituent. The non-aromatic five- and six-membered rings both exhibit boat conformations. In the crystal, weak C-H?O and C-H?N inter-actions establish the observed three-dimensional structure. The crystal studied was refined as an inversion twin.

SUBMITTER: Wen L

PROVIDER: S-EPMC3647850 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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2-(4-Methyl-phen-yl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexa-hydro-1H-benzo[f]iso-indole-6-carbo-nitrile.

Wen Lei L Hu Yimin Y

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In the title compound, C26H22N2O, one phenyl ring, one five-membered N-heterocyclic ring and one six-membered carbocyclic ring make up the hexa-hydro-benzo[f]iso-indole core. Another phenyl group is attached to the heterocyclic N atom as a substituent. The non-aromatic five- and six-membered rings both exhibit boat conformations. In the crystal, weak C-H⋯O and C-H⋯N inter-actions establish the observed three-dimensional structure. The crystal studied was refined as an inversion twin. ...[more]

PMID: 23723816

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