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

Leila Narimani, Bohari Mohd. Yamin

Research output: Contribution to journalArticle

5 Citations (Scopus)

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 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 [centroid-centroid distance = 3.763 Å] and C - O⋯π inter-actions [O⋯centroid = 3.5300 (16) Å, C - O⋯centroid = 132.19 (10)°] are also present.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number5
DOIs
Publication statusPublished - May 2012

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Triazines
Oxalic acid
Oxalates
oxalates
centroids
Hydrogen
Hydrogen bonds
Negative ions
deviation
Oxalic Acid
Atoms
Crystals
oxalic acid
Ions
hydrogen
Anions
hydrogen bonds
anions
rings
crystals

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate. / Narimani, Leila; Mohd. Yamin, Bohari.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 5, 05.2012.

Research output: Contribution to journalArticle

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N2 - 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 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 [centroid-centroid distance = 3.763 Å] and C - O⋯π inter-actions [O⋯centroid = 3.5300 (16) Å, C - O⋯centroid = 132.19 (10)°] are also present.

AB - 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 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 [centroid-centroid distance = 3.763 Å] and C - O⋯π inter-actions [O⋯centroid = 3.5300 (16) Å, C - O⋯centroid = 132.19 (10)°] are also present.

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