title: Crystal structure of 2-bromo-benzoic acid at 120 K: a redetermination.
abstract: The crystal structure of the title compound, C7H5BrO2, was originally studied using photographic data at room temperature with Cu Kα radiation [Ferguson & Sim (1962 ▶). Acta Cryst. 15, 346-350]. The present study was undertaken at 120 K with a CCD diffractometer using Cu Kα radiation, and resulted in improved geometrical parameters. In the mol-ecule, the carb-oxy group is inclined to the benzene ring by 18.7 (2)° and there is a close intra-molecular Br⋯O contact of 3.009 (3) Å. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers with the classical R 2 (2)(8) ring motif for carb-oxy-lic acids. Neighbouring dimers are linked by weak C-H⋯O hydrogen bonds, forming tapes propagating in [1-10]. Adjacent tapes inter-act by slipped parallel π-π inter-actions [inter-centroid distance = 3.991 (2), inter-planar distance = 3.509 (2) Å, slippage = 1.900 Å] to form columns approximately along the b-axis direction. Neighbouring columns inter-act dispersively, forming a three-dimensional framework structure.
authors.affiliation: Faculty of Chemistry, University of Gdańsk, W. Stwosza 63, 80-308 Gdańsk, Poland.
authors.forename: Kornelia
authors.initials: K
authors.lastname: Kowalska
authors.affiliation: Faculty of Chemistry, University of Gdańsk, W. Stwosza 63, 80-308 Gdańsk, Poland.
authors.forename: Damian
authors.initials: D
authors.lastname: Trzybiński
authors.affiliation: Faculty of Chemistry, University of Gdańsk, W. Stwosza 63, 80-308 Gdańsk, Poland.
authors.forename: Artur
authors.initials: A
authors.lastname: Sikorski
keywords: 2-bromo­benzoic acid; crystal structure; hydrogen bonds; redetermination; π–π inter­actions