2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate

Abstract

In the title molecular salt, C4H6ClN4+·C5H7O4−, the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H...O hydrogen bonds with an R22(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R32(8), R22(8), R42(8), R22(8) and R32(8). In addition, another type of R22(8) motif is formed by inversion-related pyrimidinium cations via N—H...N hydrogen bonds, forming a two-dimensional network parallel to (101).

Keywords

• crystal structure