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

ABSTRACT: In the title compound, C21H21BrO3S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo-furan and 2-bromo-phenyl fragments is 82.47?(5)°. In the crystal, mol-ecules related by inversion are paired into dimers via C-H?? and ?-? inter-actions, the latter are indicated by the short distance of 3.607?(3)?Å between the centroids of the furan rings. Inter-molecular C-H?O hydrogen bonds and short Br?O [3.280?(1)?Å] contacts further consolidate the crystal packing.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3998423 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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3-(2-Bromo-phenyl-sulfon-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 20140222 Pt 3

In the title compound, C21H21BrO3S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo-furan and 2-bromo-phenyl fragments is 82.47 (5)°. In the crystal, mol-ecules related by inversion are paired into dimers via C-H⋯π and π-π inter-actions, the latter are indicated by the short distance of 3.607 (3) Å between the centroids of the furan rings. Inter-molecular C-H⋯O hydrogen bonds and short Br⋯O [3.280 (1) Å] contacts further consolidate the c ...[more]

PMID: 24765022

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