Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-methyl-1,3,5-triazin-1-ium trichloroacetate monohydrate

In the crystal structure, the cations form hydrogen-bonded zigzag chains through centrosymmetric cyclic (8) N—H⋯N associations while the water mol­ecule acts as a double acceptor, linking the cations of the chain peripherally through amine N—H⋯O hydrogen bonds, closing cyclic (8) motifs, and as a double O—H⋯O donor, linking the anions, giving an overall three-dimensional structure.
The asymmetric unit of the title mol­ecular salt, C4H8N5 +·C2Cl3O2 −·H2O, coomprises a 2,4-di­amino-6-methyl-1,3,5-triazin-1-ium cation, a tri­chloro­acetate anion and a water mol­ecule of solvation. The protonated N atom of the cation forms a hydrogen bond with a carboxyl O atom of the anion, which also acts as a hydrogen-atom acceptor with the water mol­ecule. The cations form centrosymmetric dimeric units through R 2 2(8) N—H⋯N bond pairs and are extended into zigzag chains along the c-axis direction, also through similar cyclic R 2 2(8) dual N—H⋯N hydrogen-bonding inter­actions. The water mol­ecule acts as a dual acceptor forming N—H⋯O hydrogen bonds between the amine groups of the cations, forming cyclic R 2 3(8) motifs. The second H atom of the water mol­ecule also acts as a donor in an O—H⋯O hydrogen bond with the second carboxyl O atom, linking the chains along the b-axis direction. These interactions give rise to an overall three-dimensional supra­molecular structure. A Hirshfeld surface analysis was employed in order to study the inter­molecular inter­actions.