• 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

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      https://www.ias.ac.in/article/fulltext/jcsc/128/10/1579-1587

    • Keywords

       

      Halogen bond; electron density analysis; multipole refinement; intermolecular interaction.

    • 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 chargedensity followed by topological analysis.

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