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3-(4-Fluoro-phenyl-sulfon-yl)-5-iodo-2,7-dimethyl-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(12)FIO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.31?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by an I?I contact [3.7764?(3)?Å]. The crystal structure also exhibits a weak C-I?? [3.901?(3)?Å] inter-action and a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.845?(3), inter-planar distance = 3.555?(3) and slippage = 1.465?(3)?Å].

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3254446 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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3-(4-Fluoro-phenyl-sulfon-yl)-5-iodo-2,7-dimethyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

In the title compound, C(16)H(12)FIO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.31 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, and by an I⋯I contact [3.7764 (3) Å]. The crystal structure also exhibits a weak C-I⋯π [3.901 (3) Å] inter-action and a slipped π-π inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.845 (3), inter-planar distance = 3.555 ( ...[more]

PMID: 22259594

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