Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid

doi:10.1107/S2056989019003979

Paper

Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid

Published Mar 29, 2019 · George L. Diehl III, Lisa Je, J. Tanski

Acta Crystallographica Section E: Crystallographic Communications

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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.

Study Snapshot

The two isomers of 4-nitro-3-(trifluoromethyl)benzoic acid show steric interactions that rotate the carboxylic acid or nitro group out of the aromatic plane, respectively.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid

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