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2-(5-环己基-3-异丙基硫烷基-1-苯并呋喃-2-基)乙酸

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

作者信息

Choi Hong Dae, Seo Pil Ja, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o397. doi: 10.1107/S1600536811055152. Epub 2012 Jan 14.

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⋯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].

摘要

在标题化合物C(19)H(24)O(3)S中,环己基环呈椅式构象。在晶体中,分子通过O-H⋯O氢键对相连,形成反演二聚体。这些二聚体通过弱分子间C-H⋯π相互作用以及相邻分子呋喃环之间的滑移π-π相互作用进一步稳定[质心-质心距离 = 3.557 (2) Å,平面间距离 = 3.301 (2) Å,滑移 = 1.325 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3f22/3275074/6f6291ae7ae7/e-68-0o397-fig1.jpg

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