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5-Bromo-3-cyclo-hexyl-sulfonyl-2-methyl-1-benzofuran.


ABSTRACT: In the title compound, C(15)H(17)BrO(3)S, the cyclo-hexyl ring adopts a practically undistorted chair conformation [endocyclic torsion angles are within a 54.5-56.4?(3)° range] and the aryl-sulfonyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through C-H?O hydrogen bonds and donor-acceptor Br?O contacts [3.250?(2)?Å]. The crystal structure also exhibits aromatic ?-? overlap between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.635?(2)?Å].

SUBMITTER: Choi HD 

PROVIDER: S-EPMC3052108 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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5-Bromo-3-cyclo-hexyl-sulfonyl-2-methyl-1-benzofuran.

Choi Hong Dae HD   Seo Pil Ja PJ   Son Byeng Wha BW   Lee Uk U  

Acta crystallographica. Section E, Structure reports online 20110202 Pt 3


In the title compound, C(15)H(17)BrO(3)S, the cyclo-hexyl ring adopts a practically undistorted chair conformation [endocyclic torsion angles are within a 54.5-56.4 (3)° range] and the aryl-sulfonyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds and donor-acceptor Br⋯O contacts [3.250 (2) Å]. The crystal structure also exhibits aromatic π-π overlap between the benzene and furan rings of neighbouring mol-ecules [  ...[more]

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