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1,3,5-三碘-2,4,6-三甲基苯,温度为293K

1,3,5-Triiodo-2,4,6-trimethylbenzene at 293 K.

作者信息

Boudjada A, Hernandez O, Meinnel J, Mani M, Paulus W

机构信息

Laboratoire de Cristallographie, Département de Physique, Université Mentouri Constantine, 25000 Constantine, Algeria.

出版信息

Acta Crystallogr C. 2001 Sep;57(Pt 9):1106-8. doi: 10.1107/s0108270101010113. Epub 2001 Sep 11.

Abstract

In the structure of triiodomesitylene (1,3,5-triiodo-2,4,6-trimethylbenzene), C(9)H(9)I(3), at 293 K, the benzene ring is found to be significantly distorted from ideal D(6h) symmetry; the average endocyclic angles facing the I atoms and the methyl groups are 123.8 (3) and 116.2 (3) degrees, respectively. The angle between the normal to the molecular plane and the normal to the (100) plane is 5.1 degrees. No disorder was detected at 293 K. The thermal motion was investigated by a rigid-body motion tensor analysis. Intra- and intermolecular contacts are described and topological differences compared with the isomorphous compounds trichloromesitylene and tribromomesitylene are discussed.

摘要

在三碘均三甲苯(1,3,5 - 三碘 - 2,4,6 - 三甲基苯)C(9)H(9)I(3)于293 K时的结构中,发现苯环明显偏离理想的D(6h)对称性;面向碘原子和甲基的平均环内角分别为123.8 (3)度和116.2 (3)度。分子平面法线与(100)平面法线之间的夹角为5.1度。在293 K时未检测到无序现象。通过刚体运动张量分析研究了热运动。描述了分子内和分子间的接触,并讨论了与同构化合物三氯均三甲苯和三溴均三甲苯相比的拓扑差异。

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