1,2,4-triazolium bis(3-carboxy-4-hydroxybenzenesulfonate) 1,2,4-triazole disolvate

Abstract

The title compound, C2H4N3+·[H(C2H3N3) 2]+·2C7H5O6S -·2C2H3N3, consists of two types of 1,2,4-triazole monocation, one protonated at the 2-site lying across a twofold axis and the other protonated at the 4-site with the H atom disordered over a center of symmetry, a 5-sulfosalicylate anion and a neutral 1,2,4-triazole mol-ecule. The component ions are linked into a three-dimensional network by a combination of N - H⋯O, N - H⋯N, O - H⋯O, O - H⋯N, C - H⋯O and C - H⋯N hydrogen bonds. In addition, benzene-benzene π-π inter-actions of 3.942 (2) Å [inter-planar spacing = 3.390 (2) Å] and C - O⋯π (3.331 Å) inter-actions are observed.