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.
http://doi.org/10.1107/S1600536811020666
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] direction.
Partial Text
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 ▶).
Source:
http://doi.org/10.1107/S1600536811020666