Abstract
The title compound, C4H8N5 +·C2HO4 −, was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1) Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1) Å for both carbonyl O atoms. In the crystal, the ions are linked by intermolecular N—H⋯O, N—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. Weak π–π [centroid–centroid distance = 3.763 Å] and C—O⋯π interactions [O⋯centroid = 3.5300 (16) Å, C—O⋯centroid = 132.19 (10)°] are also present.
Highlights
The title compound, C4H8N5+C2HO4, was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine
H atoms treated by a mixture of independent and constrained refinement max = 0.25 e Å3
The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1) Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1) Å
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.25 e Å3. R factor = 0.041; wR factor = 0.113; data-to-parameter ratio = 13.5. The title compound, C4H8N5+C2HO4, was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1) Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1) Å for both carbonyl O atoms. The ions are linked by intermolecular N—H O, N—H N, O—H O and C—. H O hydrogen bonds, forming a three-dimensional network. O centroid = 132.19 (10) ] are present
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More From: Acta Crystallographica Section E Structure Reports Online
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