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1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

ABSTRACT: In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoro-meth-yl)phenyl and tiophene rings is 54.37?(5)°. The acethyl group is twisted by 8.1?(2)° with respect to the thio-phene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49?(3) and 0.51?(3). The crystal packing features C-H?F and C-H?O hydrogen bonds, forming dimers which are connected into chains along the c axis by C-H?O hydrogen bonds and C-Cl?? [Cl?? = 3.415?(1)?Å and C-Cl?? = 151.56?(5)°] inter-actions. The chains are further connected into layers perpendicular to the a axis by C-H?O inter-actions.

SUBMITTER: Lytvyn R

PROVIDER: S-EPMC3052071 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

Lytvyn Roman R Horak Yuri Y Matiychuk Vasyl V Obushak Mykola M Kinzhybalo Vasyl V

Acta crystallographica. Section E, Structure reports online 20110209 Pt 3

In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoro-meth-yl)phenyl and tiophene rings is 54.37 (5)°. The acethyl group is twisted by 8.1 (2)° with respect to the thio-phene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49 (3) and 0.51 (3). The crystal packing features C-H⋯F and C-H⋯O hydrogen bonds, forming dimers which are connected into chains along the c axis by C-H⋯O hydrogen bonds and C-Cl⋯π [Cl⋯π = ...[more]

PMID: 21522346

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