Acta Crystallographica Section E (Jul 2011)

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

  • Hoong-Kun Fun,
  • Safra Izuani Jama Asik,
  • Rajesha Kumar,
  • Arun M. Isloor,
  • K. N. Shivananda

DOI
https://doi.org/10.1107/s1600536811020666
Journal volume & issue
Vol. 67, no. 7
pp. o1600 – o1600

Abstract

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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 [10overline{1}] direction.