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2-(4-Fluoro-phen-yl)-5-iodo-7-methyl-3-phenyl-sulfinyl-1-benzo-furan.

ABSTRACT: In the title compound, C21H14FIO2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzo-furan fragment and the pendant 4-fluoro-phenyl and phenyl rings are 3.66 (7) and 82.37 (6)°, respectively. In the crystal, mol-ecules are linked by pairs of C-H⋯I hydrogen bonds into centrosymmetric dimers, which are further packed into stacks along the b axis by C-H⋯O hydrogen bonds. In addition, the stacked mol-ecules exhibit inversion-related S⋯O contacts [2.9627 (14) Å] involving the sulfinyl groups.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3684910 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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2-(4-Fluoro-phen-yl)-5-iodo-7-methyl-3-phenyl-sulfinyl-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130504 Pt 6

In the title compound, C21H14FIO2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzo-furan fragment and the pendant 4-fluoro-phenyl and phenyl rings are 3.66 (7) and 82.37 (6)°, respectively. In the crystal, mol-ecules are linked by pairs of C-H⋯I hydrogen bonds into centrosymmetric dimers, which are further packed into stacks along the b axis by C-H⋯O hydrogen bonds. In addition, the stacked mol-ecules exhibit inversion-related S⋯O contacts [2.9627 (14) Å ...[more]

PMID: 23795012

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2-(2-Fluoro-phen-yl)-5-iodo-7-methyl-3-methyl-sulfinyl-1-benzo-furan.

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