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2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate.

ABSTRACT: The title compound, C(4)H(8)N(5) (+)·C(2)HO(4) (-), 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 inter-molecular N-H?O, N-H?N, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. Weak ?-? [centroid-centroid distance = 3.763?Å] and C-O?? inter-actions [O?centroid = 3.5300?(16)?Å, C-O?centroid = 132.19?(10)°] are also present.

SUBMITTER: Narimani L

PROVIDER: S-EPMC3344586 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate.

Narimani Leila L Yamin Bohari M BM

Acta crystallographica. Section E, Structure reports online 20120421 Pt 5

The title compound, C(4)H(8)N(5) (+)·C(2)HO(4) (-), 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 inter-molecular N-H⋯O, N-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network. Weak π-π [centroi ...[more]

PMID: 22590348

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