Crystallization, structural study and analysis of intermolecular interactions of a 2-aminobenzoxazole–fumaric acid molecular salt

The new organic salt, 2-aminobenzoxazol-3-ium 3-carboxyprop-2-enoate, C 7 H N 2 O + ·C 4 3 − , of the two bioactive compounds 2-aminobenzoxazole and fumaric acid, crystallizes in orthorhombic space group Pbca using classical evaporation their solution water. usual topological analysis revealed four (N—H...O O—H...O) non-classical (C—H...O) hydrogen bonds structure. Stacking was found as well for a pair 2-aminobenzoxazolium cations. A Hirshfeld surface including two-dimensional fingerprint plots performed to define residual π–π interactions quantify influences different types by means analysis. Analysis pairwise interaction energies used prove formation corrugated paired layers cation–anion dimers parallel plane (001) basic structural motif topological, energetic structure crystal. It showed that are connected inside stacking general dispersion between them.