2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 4-methylbenzenesulfonate

Abstract

The title molecular salt, C4H8N3O+·C7H7O3S−, is composed of a 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium cation and a 4-methylbenzenesulfonate anion. The cation is protonated at its N atom and the anion is deprotonated at its hydroxy O atom. The imidazole ring is planar (r.m.s. deviation = 0.033 Å) and makes a dihedral angle of 7.87 (10)° with the benzene ring of the anion. In the crystal, the anions and cations are connected by two N—H...O hydrogen bonds, generating an R22(8) ring motif. These units are linked by further N—H...O hydrogen bonds and C—H...O and C—H...π contacts to form chains propagating along the a-axis direction.

Keywords

• crystal structure
• molecular salt
• hydrogen bonding