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2-甲基-3-[(4-甲基苯基)磺酰氧基]-2-{[(4-甲基苯基)磺酰氧基]甲基}丙基 4-甲基苯磺酸盐

2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate.

作者信息

Al-Mohammed Nassir N, Shakir Raied M, Alias Yatimah, Abdullah Zanariah, Abd Halim Siti Nadiah, Tiekink Edward R T

机构信息

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1838. doi: 10.1107/S1600536811024664. Epub 2011 Jun 30.

DOI:10.1107/S1600536811024664
PMID:21837205
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152050/
Abstract

The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32 (10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28 (10) and 78.81 (7)°]. The crystal packing is dominated by C-H⋯O contacts and π-π inter-actions [ring centroid distance = 3.6902 (12) Å].

摘要

标题分子C(26)H(30)O(9)S(3)呈伸展构象,其中两个近似平行的苯环[二面角 = 8.32 (10)°]沿穿过中心季碳原子的伪三重轴方向相反排列,而第三个环位于这两个环中间且与之面对面[二面角 = 82.28 (10) 和78.81 (7)°]。晶体堆积主要由C—H⋯O接触和π–π相互作用主导[环心距 = 3.6902 (12) Å]。

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