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7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol solvate.

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Authors
Dolzhenko, Anton
Tan, G.
Koh, L.
Woo, S.
Chui, W.
Date
2008
Type
Journal Article

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Dolzhenko, Anton and Tan, Geok and Koh, Lip and Woo, Su and Chui, Wai. 2008. 7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol solvate. Acta Crystallographica Section E - Structure Reports Online. E64 (10): o2021.
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Acta Crystallographica Section E - Structure Reports Online
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School of Pharmacy
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This open-access article is distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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Abstract

7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine crystallized with one molecule of methanol to give the title compound, C12H13N7CH3OH. The triazolo[1,5-a][1,3,5]triazine heterocyclic core is essentially planar as are both amino groups that are involved in -electron delocalization with the triazolo[1,5-a][1,3,5]triazine nucleus. The methyl groups of the dimethylamino fragment are involved in the formation of weak intramolecular C-H...N hydrogen bonds with the N atoms of the heterocyclic system. The crystal packing is stabilized by intermolecular N-H...N hydrogen bonds between the triazolo[1,5-a][1,3,5]triazine molecules. The methanol solvent molecule also participates in the formation of the crystal structure via intermolecular O-H...N, N-H...O and weak C-H...O hydrogen bonds, linking the layers of triazolo[1,5-a][1,3,5]triazine molecules.