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5-Cyclo-hexyl-2-(4-fluoro-phen-yl)-3-phenyl-sulfinyl-1-benzo-furan.

ABSTRACT: The asymmetric unit of the title compound, C26H23FO2S, contains two independent mol-ecules (A and B), in both of which the cyclo-hexyl ring adopts a chair conformation. The benzo-furan ring systems, the 4-fluoro-phenyl and phenyl rings are essentially planar, with r.m.s. deviations of 0.008?(1), 0.002?(1) and 0.003?(1)?Å, respectively, for mol-ecule A, and 0.016?(1), 0.004?(1) and 0.002?(1)?Å, respectively, for mol-ecule B. The dihedral angles between the benzo-furan ring system and the pendant 4-fluoro-phenyl and phenyl rings are 12.3?(7) and 85.42?(4)°, respectively, for mol-ecule A, and 39.67?(6) and 72.17?(4)°, respectively, for mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, resulting in a three-dimensional network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3884427 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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5-Cyclo-hexyl-2-(4-fluoro-phen-yl)-3-phenyl-sulfinyl-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130821 Pt 9

The asymmetric unit of the title compound, C26H23FO2S, contains two independent mol-ecules (A and B), in both of which the cyclo-hexyl ring adopts a chair conformation. The benzo-furan ring systems, the 4-fluoro-phenyl and phenyl rings are essentially planar, with r.m.s. deviations of 0.008 (1), 0.002 (1) and 0.003 (1) Å, respectively, for mol-ecule A, and 0.016 (1), 0.004 (1) and 0.002 (1) Å, respectively, for mol-ecule B. The dihedral angles between the benzo-furan ring system and the pendant ...[more]

PMID: 24427078

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