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Methyl 2-[4-(tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoate.

ABSTRACT: In the title compound, C15H13F3O2S, the dihedral angle between the benzene rings is 79.5?(1)°. The ester group is twisted by 7.6?(1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri-fluoro-methyl group with an occupancy ratio of 0.54?(6):0.46?(6). In the crystal, mol-ecules are linked via weak C-H?O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C-H?? inter-actions, leading to the formation of a three-dimensional supra-molecular structure.

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC3884328 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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Methyl 2-[4-(tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoate.

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 20131019 Pt 11

In the title compound, C15H13F3O2S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri-fluoro-methyl group with an occupancy ratio of 0.54 (6):0.46 (6). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C-H⋯π inter-actions, leading to t ...[more]

PMID: 24454104

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