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5-Cyclo-hexyl-3-(2-fluoro-phenyl-sulfin-yl)-2-methyl-1-benzo-furan.

ABSTRACT: In the title compound, C21H21FO2S, the cyclo-hexyl ring adopts a chair conformation. The 2-fluoro-phenyl ring makes a dihedral angle of 88.47?(4)° with the mean plane [r.m.s. deviation = 0.013?(1)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, forming chains propagating along [100]. The crystal structure also exhibits slipped ?-? inter-actions between the furan rings of neighboring mol-ecules [centroid-to-centroid distance = 3.397?(2)?Å, inter-planar distance = 3.346?(2)?Å and slippage = 0.586?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3685051 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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5-Cyclo-hexyl-3-(2-fluoro-phenyl-sulfin-yl)-2-methyl-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-phenyl ring makes a dihedral angle of 88.47 (4)° with the mean plane [r.m.s. deviation = 0.013 (1) Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions, forming chains propagating along [100]. The crystal structure also exhibits slipped π-π inter-actions between the furan rings of neighboring mol-ecules [centroid-to-centroid distance = 3.397 (2) ...[more]

PMID: 23795070

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