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2-(4-Fluoro-phen-yl)-5-iodo-3-isopropyl-sulfonyl-1-benzofuran.

ABSTRACT: There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(17)H(14)FIO(3)S. The dihedral angle formed by the 4-fluoro-phenyl ring and the mean plane [r.m.s. deviation = 0.013?(2)?Å in mol-ecule A and 0.016?(2)?Å in mol-ecule B] of the benzofuran fragment is 57.71?(7)° in mol-ecule A and 44.95?(7)° in mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and I?O contacts [I?O = 3.3646?(15) and 3.2354?(14)?Å], forming a three--dimensional network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3515283 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

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2-(4-Fluoro-phen-yl)-5-iodo-3-isopropyl-sulfonyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(17)H(14)FIO(3)S. The dihedral angle formed by the 4-fluoro-phenyl ring and the mean plane [r.m.s. deviation = 0.013 (2) Å in mol-ecule A and 0.016 (2) Å in mol-ecule B] of the benzofuran fragment is 57.71 (7)° in mol-ecule A and 44.95 (7)° in mol-ecule B. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and I⋯O contacts [I⋯O = 3.3646 (15) and 3.2354 (14) Å], forming a three-- ...[more]

PMID: 23284503

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