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

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 deviati...

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Detalles Bibliográficos
Autores principales: Narimani, Leila, Yamin, Bohari M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344586/
https://www.ncbi.nlm.nih.gov/pubmed/22590348
http://dx.doi.org/10.1107/S1600536812016637
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author Narimani, Leila
Yamin, Bohari M.
author_facet Narimani, Leila
Yamin, Bohari M.
author_sort Narimani, Leila
collection PubMed
description 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 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.
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spelling pubmed-33445862012-05-15 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate Narimani, Leila Yamin, Bohari M. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 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. International Union of Crystallography 2012-04-21 /pmc/articles/PMC3344586/ /pubmed/22590348 http://dx.doi.org/10.1107/S1600536812016637 Text en © Narimani and Yamin 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Narimani, Leila
Yamin, Bohari M.
2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
title 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
title_full 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
title_fullStr 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
title_full_unstemmed 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
title_short 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
title_sort 2,4-diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344586/
https://www.ncbi.nlm.nih.gov/pubmed/22590348
http://dx.doi.org/10.1107/S1600536812016637
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