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2-[4-(Tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoic acid.

ABSTRACT: In the title compound, C14H9F3O2S, the dihedral angle between the mean planes of the benzene rings is 88.7?(2)°. The carb-oxy-lic acid group is twisted by 13.6?(7)° from the mean plane of its attached aromatic ring. One of the F atoms of the tri-fluoro-methyl group is disordered over two sites in a 0.61?(7):0.39?(7) ratio. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R 2 (2)(8) loops. Weak C-H?F inter-actions are also observed.

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC3884354 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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2-[4-(Tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoic acid.

Yamuna Thammarse S TS Jasinski Jerry P JP Anderson Brian J BJ Yathirajan H S HS Kaur Manpreet M

Acta crystallographica. Section E, Structure reports online 20131026 Pt 11

In the title compound, C14H9F3O2S, the dihedral angle between the mean planes of the benzene rings is 88.7 (2)°. The carb-oxy-lic acid group is twisted by 13.6 (7)° from the mean plane of its attached aromatic ring. One of the F atoms of the tri-fluoro-methyl group is disordered over two sites in a 0.61 (7):0.39 (7) ratio. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (2)(8) loops. Weak C-H⋯F inter-actions are also observed. ...[more]

PMID: 24454130

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Crystal structures of 3-fluoro-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide, 3-bromo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide and 3-iodo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide.

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