Research Article: 4-(Morpholin-4-yl)-3-(trifluoro­meth­yl)­benzonitrile

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 [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 ▶).




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