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Acta Cryst. (2012). E68, o3095-o3096
[ doi:10.1107/S1600536812041244 ]


S. Zheng, D. Resch, T. Honda and J. P. Jasinski

Abstract: The anti-inflammatory and cytoprotective tricyclic title compound, C21H18N2O2, also known as TBE-31, crystallizes with two nearly superimposable molecules in the asymmetric unit. In both molecules, the three ring systems conform to an envelope-chair-planar arrangement. The central ring, in a cyclohexane chair conformation, contains an axial ethynyl group that bends slightly off from a nearby axial methyl group because of the 1,3-diaxial repulsion between the two groups. In the crystal, weak C-H...N and C-H...O interactions form chains along [001].

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