Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium tri-chloro-acetate monohydrate

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-07, Vol.74 (Pt 7), p.944-948
• Main Authors: Sangeetha, Ramalingam, Balasubramani, Kasthuri, Thanigaimani, Kaliyaperumal, Jose Kavitha, Savaridasson
• Format: Article
• Language: English
• Subjects: Research Communications
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989018008307

The asymmetric unit of the title mol-ecular salt, C H N ·C Cl O ·H O, coomprises a 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium cation, a tri-chloro-acetate anion and a water mol-ecule 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 mol-ecule. The cations form centrosymmetric dimeric units through (8) N-H⋯N bond pairs and are extended into zigzag chains along the -axis direction, also through similar cyclic (8) dual N-H⋯N hydrogen-bonding inter-actions. The water mol-ecule acts as a dual acceptor forming N-H⋯O hydrogen bonds between the amine groups of the cations, forming cyclic (8) motifs. The second H atom of the water mol-ecule also acts as a donor in an O-H⋯O hydrogen bond with the second carboxyl O atom, linking the chains along the -axis direction. These interactions give rise to an overall three-dimensional supra-molecular structure. A Hirshfeld surface analysis was employed in order to study the inter-molecular inter-actions.