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4-溴-硒代苯甲醚

4-Bromo-seleno-anisole.

作者信息

Sørensen Henning Osholm, Stuhr-Hansen Nicolai

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1665-6. doi: 10.1107/S160053680902296X.

DOI:10.1107/S160053680902296X
PMID:21582926
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969389/
Abstract

The title compound, 1-bromo-4-methyl-seleno-benzene, C(7)H(7)BrSe, was prepared by methyl-ation of 4-bromo-seleno-phenolate with methyl iodide, and crystals suitable for structure determination were obtained by sublimation. The mol-ecule is essentially planar; the Se-Me bond is rotated by only 2.59 (19)° out of the least-squares plane of the benzene ring. The most pronounced intermolecular interactions are two hydrogen bonds of the type C-H⋯π, which determine a herring-bone pattern in the crystal packing.

摘要

标题化合物1-溴-4-甲基-硒苯（C₇H₇BrSe）是通过4-溴-硒酚盐与碘甲烷进行甲基化反应制备的，通过升华得到了适合进行结构测定的晶体。分子基本呈平面状；Se-Me键相对于苯环的最小二乘平面仅旋转了2.59 (19)°。最显著的分子间相互作用是两个C-H⋯π型氢键，这在晶体堆积中形成了一种人字形图案。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc77/2969389/e1a0b8395a9f/e-65-o1665-fig1.jpg

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本文引用的文献

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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Relations between 77Se NMR chemical shifts of (phenylseleno)-benzenes and their molecular structures derived from nine X-ray crystal structures.
Org Biomol Chem. 2003 Mar 21;1(6):1053-60. doi: 10.1039/b211130f.

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