Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl-1H-benzimidazol-3-ium chloride monohydrate

Abstract

The asymmetric unit of the title compound, C8H11N32+·2Cl−·H2O, contains three organic cations, six chloride anions and three water molecules of crystallization, which are connected by extensive hydrogen-bonding interactions into a three-dimensional supramolecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (37.4%), Cl...H/H...Cl (35.5%), C...H/H...C (9.5%) and C...C (6.9%) interactions.

Keywords

• crystal structure
• imidazol
• ethanaminium
• ethanaminium chloride
• Hirshfeld surface