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

ABSTRACT: In the title compound, C21H21FO2S, the cyclo-hexyl ring adopts a chair conformation. The 2-fluoro-benzene ring makes a dihedral angle of 38.68?(6)° with the mean plane [r.m.s. deviation = 0.018?(2)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds into dimers, which are further packed into stacks along the c axis by C-H?O hydrogen bonds. In addition, the stacked mol-ecules exhibit S?O contacts [3.1733?(13)?Å] involving the sulfinyl groups. The F atom is disordered over two positions, with site-occupancy factors of 0.961?(3) and 0.039?(3).

SUBMITTER: Choi HD

PROVIDER: S-EPMC3685044 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130515 Pt 6

In the title compound, C21H21FO2S, the cyclo-hexyl ring adopts a chair conformation. The 2-fluoro-benzene ring makes a dihedral angle of 38.68 (6)° with the mean plane [r.m.s. deviation = 0.018 (2) Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds into dimers, which are further packed into stacks along the c axis by C-H⋯O hydrogen bonds. In addition, the stacked mol-ecules exhibit S⋯O contacts [3.1733 (13) Å] involving the sulfinyl groups. The ...[more]

PMID: 23795063

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