Research Article: 2-(Trifluoro­meth­yl)benzoic acid

Date Published: April 01, 2011

Publisher: International Union of Crystallography

Author(s): Richard Betz, Thomas Gerber.


In the title compound, C8H5F3O2, a halogenated derivative of benzoic acid, the carboxyl group is tilted by 16.8 (3)° with respect to the plane of the aromatic ring. In the crystal, O—H⋯O hydrogen bonding gives rise to carb­oxy­lic acid dimers, which are further connected into double chains along [1,1/4,1] by C—H⋯O contacts. C—H⋯F and C—F⋯π contacts are also observed.

Partial Text

For the crystal structure of benzoic acid using X-ray diffraction, see Bruno & Randaccio (1980 ▶). For the crystal structure of benzoic acid applying neutron radiation, see Wilson et al. (1996 ▶), and of ortho-fluoro­benzoic acid, see Krausse & Dunken (1966 ▶). For the crystal structure of ortho-chloro­benzoic acid, see Ferguson & Sim (1961 ▶); Polito et al. (2008 ▶). For graph-set analysis of hydrogen bonds, see: Etter et al. (1990 ▶); Bernstein et al. (1995 ▶).




0 0 vote
Article Rating
Notify of
Inline Feedbacks
View all comments