Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate

Abstract

In the title salt, C 2 H 3 BrN 3 S + ·Cl − ·H 2 O, the cation C 2 H 3 BrN 3 S + cation, the Cl − anion and the water molecule are linked by N—H...Cl, N—H...O and O—H...Cl hydrogen bonds, forming molecular layers parallel to the (002) plane. The crystal packing is further reinforced by van der Waals interactions between these layers but C—H...π and π–π interactions are not observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to study the intermolecular interactions.