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

ABSTRACT: In the title compound, C22H23FO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.013?(2)?Å] of the benzo-furan ring system and the mean plane [r.m.s. deviation = 0.009?(2)?Å] of the 3-fluoro-phenyl ring is 24.80?(4)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds, forming chains along [10-1]. These chains are linked via C-H?F hydrogen bonds, forming a three-dimensional structure. There are also inter-planar inter-actions present involving the furan ring of the benzo-furan ring system and the 3-fluoro-phenyl ring [centroid-centroid distance = 3.728?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3884386 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

In the title compound, C22H23FO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.013 (2) Å] of the benzo-furan ring system and the mean plane [r.m.s. deviation = 0.009 (2) Å] of the 3-fluoro-phenyl ring is 24.80 (4)°. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming chains along [10-1]. These chains are linked via C-H⋯F hydrogen bonds, forming a three-dimensional structure. There are also inter-planar in ...[more]

PMID: 24427085

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