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2,5-Bis(4-fluoro-phen-yl)-2-methyl-sulfanyl-1-benzofuran.

ABSTRACT: The crystal studied of the title compound, C(21)H(14)F(2)OS, was an inversion twin with a 0.67?(8):0.33?(8) domain ratio. The 4-fluoro-phenyl ring in the 2-position makes a dihedral angle of 25.14?(6)° with the mean plane of the benzofuran fragment, and the dihedral angle between 4-fluoro-phenyl ring in the 5-position and the mean plane of the benzofuran fragment is 28.50?(7)°. In the crystal, mol-ecules are linked through weak inter-molecular C-H?F and C-H?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3099888 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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2,5-Bis(4-fluoro-phen-yl)-2-methyl-sulfanyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20110305 Pt 4

The crystal studied of the title compound, C(21)H(14)F(2)OS, was an inversion twin with a 0.67 (8):0.33 (8) domain ratio. The 4-fluoro-phenyl ring in the 2-position makes a dihedral angle of 25.14 (6)° with the mean plane of the benzofuran fragment, and the dihedral angle between 4-fluoro-phenyl ring in the 5-position and the mean plane of the benzofuran fragment is 28.50 (7)°. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯F and C-H⋯π inter-actions. ...[more]

PMID: 21754073

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