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3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5-iodo-7-methyl-1-benzofuran.

ABSTRACT: In the title compound, C(17)H(14)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 14.56?(5)° with the mean plane [r.m.s. deviation = 0.012?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of I?O contacts [3.038?(2)?Å], forming inversion dimers. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions, with site-occupancy factors of 0.747?(3) and 0.253?(3).

SUBMITTER: Choi HD

PROVIDER: S-EPMC3470334 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5-iodo-7-methyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120922 Pt 10

In the title compound, C(17)H(14)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 14.56 (5)° with the mean plane [r.m.s. deviation = 0.012 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of I⋯O contacts [3.038 (2) Å], forming inversion dimers. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions, with site-occupancy factors of 0.747 (3) and 0.253 (3). ...[more]

PMID: 23125747

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