Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br⋯Br and type II Br⋯Cl interactions

被引：0
|
作者：
MYSORE S PAVAN
TAYUR N GURU ROW
机构：
[1] Indian Institute of Science,Solid State and Structural Chemistry Unit
来源：
Journal of Chemical Sciences | 2016年 / 128卷
关键词：
Halogen bond; electron density analysis; multipole refinement; intermolecular interaction.;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The crystal structure of 4−bromo−2−chlorobenzoic acid generates an unusual triangular motif consisting of a hitherto uncharacterized Type I Br⋯Br contact along with two Type II Br⋯Cl interactions as edges of the triangle. The nature of such bonding is analyzed based on both experimental and theoretical charge density followed by topological analysis.
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收藏
页码：1579 / 1587
页数：8
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