Date Published: July 01, 2011
Publisher: International Union of Crystallography
Author(s): Hoong-Kun Fun, Safra Izuani Jama Asik, Rajesha Kumar, Arun M. Isloor, K. N. Shivananda.
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  direction.
For general background and applications of materials related to the title compound, see: Raparti et al. (2009 ▶). For the synthesis of fluvoxamine, see: Schareina et al. (2004 ▶). For synthesis of the title compound, see: Kleemann et al. (2001 ▶). For graph-set theory, see: Bernstein et al. (1995 ▶). For bond-length data, see: Allen et al. (1987 ▶). For definition of puckering parameters, see: Cremer & Pople (1975 ▶).