[4-(Trifluoromethyl)phenyl]acetonitrile.
The crystal structure of the title compound, C(9)H(6)F(3)N, at 123 K contains molecules linked together via several C-H...F and C-H...N contacts, the strongest of which are 2.58 and 2.65 A, respectively. Apparently, an F atom in the CF(3) group is able to compete with a cyano N atom for aromatic H atoms but is less prone to interact with the more acidic methylene H atoms. The Ph-CH(2)CN torsion angle is -6.4 (2) and the planar phenyl ring exhibits a typical deformation of the endo angles at the ipso-C atoms, due to the difference in the electron-withdrawing power of the CF(3) and CH(2)CN substituents.
Boitsov
Stepan
S
Department of Chemistry, University of Bergen, Allégaten 41, 5007 Bergen, Norway.
Songstad
Jon
J
Törnroos
Karl W
KW