IUCrData (Jun 2017)

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

  • Ramalingam Sangeetha,
  • Kasthuri Balasubramani,
  • Kaliyaperumal Thanigaimani,
  • Ibrahim Abdul Razak

DOI
https://doi.org/10.1107/S241431461700829X
Journal volume & issue
Vol. 2, no. 6
p. x170829

Abstract

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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.

Keywords