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.

引用

页码：1579 / 1587

页数：8

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