George L. Diehl III, Lisa Je, J. Tanski
Mar 29, 2019
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Journal
Acta Crystallographica Section E: Crystallographic Communications
Abstract
The title compounds, two isomers of nitro trifluoromethyl benzoic acid, each contain a nitro functionality para to the carboxylic acid group, with the trifluoromethyl substituent ortho to the acid group in the 2-isomer and ortho to the nitro group in the 3-isomer. The regiochemistry with respect to the trifluoromethyl group results in steric interactions that rotate the carboxylic acid group or the nitro group out of the aromatic plane in the 2- and 3-isomer, respectively.