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

ABSTRACT: In the title benzonitrile compound, C(12)H(11)F(3)N(2)O, 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[Formula: see text]] direction.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3151857 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other