BenzimidazoliumL-aspartate

Abstract

In the cation of the title molecular salt, C7H7N2+·C4H6NO4−(systematic name: 1H-benzo[d]imidazol-3-ium 2-azaniumylsuccinate), the benzimidazole ring system is almost planar (r.m.s. deviation = 0.012 Å). The cation is protonated at the N atom and the L-aspartate zwitterion is deprotonated at both carboxyl groups. In the anion, an N—H...O hydrogen bond and an N—H...O short contact generateS(6) graph-set motifs. In the crystal, the anions are linkedviathree N—H...O hydrogen bonds involving the NH3+group, forming layers parallel to theabplane. The benzimidazolium cations are linked to these layers by N—H...O hydrogen bonds. The layers are linkedviaC—H...O hydrogen bonds involving the benzimidazolium cation, forming a three-dimensional structure. There are also C—H...π interactions present involving inversion-related benzimidazolium cations.