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Loll PJ , Garavito RM , Carrell CJ , Carrell HL
2-Bromoacetoxybenzoic acid, a brominated aspirin analog
Acta Crystallographica Section C-Crystal Structure Communications. 1996 Feb 15;52 :375-377
PMID: ISI:A1996TY31700040   
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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)degrees rotation about the C8-C9 bond.
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Times Cited: 0 English Article 2 TY317 ACTA CRYSTALLOGR C-CRYST STR