4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile

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2011

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

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Abstract

In the title benzonitrile compound, C 12H 11F 3N 2O, an intra-molecular C - H?F hydrogen bond generates an S(7) ring motif. The trifluoro-methyl 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, mol-ecules are connected by inter-molecular C - H?F and C - H?O inter-actions to form R 2 2(8) ring motifs. These inter-actions also link the mol-ecules into chains parallel to the [10[ direction. Fun et al. 2011.

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Acta Crystallographica Section E: Structure Reports Online, 2011, Vol.67, 7, pp.-

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