Acta Crystallographica Section E

Volume 67, Part 7 (July 2011)


organic compounds



rz2604 scheme

Acta Cryst. (2011). E67, o1600    [ doi:10.1107/S1600536811020666 ]

4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile

H.-K. Fun, S. I. J. Asik, R. Kumar, A. M. Isloor and K. N. Shivananda

Abstract: In the title benzonitrile compound, C12H11F3N2O, an intramolecular C-H...F hydrogen bond generates an S(7) ring motif. The trifluoromethyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, molecules are connected by intermolecular C-H...F and C-H...O interactions to form R22(8) ring motifs. These interactions also link the molecules into chains parallel to the [10\overline{1}] direction.


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