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3-(3-Bromo-phenyl-sulfin-yl)-5-cyclo-hexyl-2-methyl-1-benzo-furan.

ABSTRACT: In the title compound, C21H21BrO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178?(2)?Å] of the benzo-furan ring system and the mean plane of the 3-bromo-phenyl ring is 86.52?(6)°. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? hydrogen bonds, and by a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.518?(3)?Å, inter-planar distance = 3.471?(3)?Å and slippage = 0.573?(3)?Å], resulting in a three-dimensional network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3998404 | biostudies-other | 2014 Mar

REPOSITORIES: biostudies-other

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3-(3-Bromo-phenyl-sulfin-yl)-5-cyclo-hexyl-2-methyl-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140215 Pt 3

In the title compound, C21H21BrO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzo-furan ring system and the mean plane of the 3-bromo-phenyl ring is 86.52 (6)°. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π hydrogen bonds, and by a slipped π-π inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.518 (3) Å, inter-planar distance = 3.471 (3) Å and s ...[more]

PMID: 24765010

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