6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)

• Main Authors: Ramalingam Sangeetha, Kasthuri Balasubramani, Kaliyaperumal Thanigaimani, Ibrahim Abdul Razak
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017-06-01
• Series: IUCrData
• Subjects: crystal structure; 1,2,4-triazine; 1,2,4-triazinium; benzoate; hydrogen bonding
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S241431461700829X

In the title molecular salt, C5H9N4+·C13H10NO2−·C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular N...H—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atoms via a pair of N—H...O hydrogen bonds, forming an R22 (8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by N—H...O and N—H...N hydrogen bonds to produce centrosymmetric six-membered units, enclosing R22(8) and R34(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up the b-axis direction.