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

ABSTRACT: In the title compound, C(19)H(24)O(3)S, the cylohexyl ring adopts a chair conformation. In the crystal, molecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers. These dimers are further stabilized by weak inter-molecular C-H?? inter-actions, and by slipped ?-? inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.557?(2)?Å, inter-planar distance = 3.301?(2)?Å and slippage = 1.325?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3275074 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120114 Pt 2

In the title compound, C(19)H(24)O(3)S, the cylohexyl ring adopts a chair conformation. In the crystal, molecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers. These dimers are further stabilized by weak inter-molecular C-H⋯π inter-actions, and by slipped π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.557 (2) Å, inter-planar distance = 3.301 (2) Å and slippage = 1.325 (2) Å]. ...[more]

PMID: 22347019

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

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