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.
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 ▶).