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2-(Trifluoro-meth-yl)benzoic acid.

ABSTRACT: In the title compound, C(8)H(5)F(3)O(2), a halogenated derivative of benzoic acid, the carboxyl group is tilted by 16.8?(3)° with respect to the plane of the aromatic ring. In the crystal, O-H?O hydrogen bonding gives rise to carb-oxy-lic acid dimers, which are further connected into double chains along [1,1/4,1] by C-H?O contacts. C-H?F and C-F?? contacts are also observed.

SUBMITTER: Betz R

PROVIDER: S-EPMC3100079 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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2-(Trifluoro-meth-yl)benzoic acid.

Betz Richard R Gerber Thomas T

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

In the title compound, C(8)H(5)F(3)O(2), a halogenated derivative of benzoic acid, the carboxyl group is tilted by 16.8 (3)° with respect to the plane of the aromatic ring. In the crystal, O-H⋯O hydrogen bonding gives rise to carb-oxy-lic acid dimers, which are further connected into double chains along [1,1/4,1] by C-H⋯O contacts. C-H⋯F and C-F⋯π contacts are also observed. ...[more]

PMID: 21754181

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