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2-异丙基-5-甲基-环己基 5-乙酰氧基-1,3-氧硫杂环戊烷-2-羧酸酯

2-Isopropyl-5-methyl-cyclo-hexyl 5-acet-oxy-1,3-oxathiol-ane-2-carboxyl-ate.

作者信息

Dutkiewicz Grzegorz, Chidan Kumar C S, Yathirajan H S, Mayekar A N, Kubicki Maciej

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3169. doi: 10.1107/S1600536809046492.

Abstract

In the title compound, C(16)H(26)O(5)S, the oxathiol-ane ring adopts an envelope conformation, with the S atom 0.793 (3) Å out of the mean plane of the remaining four atoms. The cyclo-hexane ring of the menthol fragment adopts an almost ideal chair conformation, with all substituents in the equatorial positions. In the crystal, relatively strong, short and linear C-H⋯O hydrogen bonds link the mol-ecules into the chains along [100] direction. The chains are packed into the crystal structure by means of weak dispersive inter-actions. Inter-molecular C-H⋯S inter-actions are also observed.

摘要

在标题化合物C₁₆H₂₆O₅S中,氧杂硫杂环戊烷环呈信封式构象,硫原子偏离其余四个原子的平均平面0.793(3) Å。薄荷醇片段的环己烷环呈近乎理想的椅式构象,所有取代基均处于平伏键位置。在晶体中,相对较强、较短且呈线性的C—H⋯O氢键将分子沿[100]方向连接成链。这些链通过弱色散相互作用堆积成晶体结构。还观察到分子间的C—H⋯S相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cec/2971831/e6920e41e382/e-65-o3169-fig1.jpg

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