Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



im2425 scheme

Acta Cryst. (2013). E69, o652    [ doi:10.1107/S1600536813008568 ]

2-(4-Methylphenyl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole-6-carbonitrile

L. Wen and Y. Hu

Abstract: In the title compound, C26H22N2O, one phenyl ring, one five-membered N-heterocyclic ring and one six-membered carbocyclic ring make up the hexahydrobenzo[f]isoindole 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 interactions establish the observed three-dimensional structure. The crystal studied was refined as an inversion twin.


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