title: 2-bromoacetoxybenzoic acid, a brominated aspirin analog.
abstract: The crystal structure of 2-bromoacetoxybenzoic acid, C9H7BrO4, shows it to be a close structural analog of aspirin. The carboxylic acid moiety is twisted by 7.7 (4) degrees out of the plane of the aromatic ring. The acetyl group, like that of aspirin, shows bond-angle distortions from ideal values while remaining essentially planar. The Br atom is rotationally disordered and has been modeled as occupying two sites related by a 13 (1) degree rotation about the C8--C9 bond.
authors.affiliation: Department of Biochemistry and Molecular Biology, University of Chicago, IL 60637, USA.
authors.forename: P J
authors.initials: PJ
authors.lastname: Loll
authors.forename: R M
authors.initials: RM
authors.lastname: Garavito
authors.forename: C J
authors.initials: CJ
authors.lastname: Carrell
authors.forename: H L
authors.initials: HL
authors.lastname: Carrell
mesh_terms: D001241:Aspirin / Q000031:analogs & derivatives* / Q000737:chemistry; D018360:Crystallography, X-Ray; D008968:Molecular Conformation
chemical_list: C095840:bromoaspirin; D001241:Aspirin