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2-(5-Cyclo-hexyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.


ABSTRACT: In the title compound, C(17)H(20)O(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, the carboxyl groups are involved in inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further stabilized by weak inter-molecular C-H?O hydrogen bonds. In addition, the crystal structure also exhibits aromatic ?-? inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.505?(2)?Å, inter-planar distance = 3.385?(2)?Å and slippage = 0.909?(2)?Å], and inter-molecular C-H?? inter-actions.

SUBMITTER: Seo PJ 

PROVIDER: S-EPMC3212340 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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