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


ABSTRACT: In the title compound, C(16)H(12)FIO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 7.43?(6)°. In the crystal structure, pairs of short I?O [3.074?(2)?Å] contacts link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic ?-? inter-actions between the benzene and the 4-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.617?(3)?Å].

SUBMITTER: Choi HD 

PROVIDER: S-EPMC3006691 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7


In the title compound, C(16)H(12)FIO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 7.43 (6)°. In the crystal structure, pairs of short I⋯O [3.074 (2) Å] contacts link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic π-π inter-actions between the benzene  ...[more]

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