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

Abstract

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. [Figure not available: see fulltext.]