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3-Ethyl-sulfinyl-5-fluoro-2-(4-iodo-phen-yl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(12)FIO(2)S, the 4-iodo-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 11.41?(7)°. The crystal structure is stabilized by an inter-molecular ?-? inter-action between the benzene and 4-iodo-phenyl rings [centroid-centroid distance = 3.757?(3)?Å]. The crystal structure also exhibits a weak inter-molecular C-H?O hydrogen bond and a short I?O [3.2575?(16)?Å] contact.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3006759 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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3-Ethyl-sulfinyl-5-fluoro-2-(4-iodo-phen-yl)-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20100630 Pt 7

In the title compound, C(16)H(12)FIO(2)S, the 4-iodo-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 11.41 (7)°. The crystal structure is stabilized by an inter-molecular π-π inter-action between the benzene and 4-iodo-phenyl rings [centroid-centroid distance = 3.757 (3) Å]. The crystal structure also exhibits a weak inter-molecular C-H⋯O hydrogen bond and a short I⋯O [3.2575 (16) Å] contact. ...[more]

PMID: 21588059

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