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7,7-Dimethyl-2-phenyl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine

✍ Scribed by Dolzhenko, Anton V. ;Tan, Geok Kheng ;Koh, Lip Lin ;Dolzhenko, Anna V. ;Chui, Wai Keung

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 494 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807021009

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✦ Synopsis

The title compound, C 12 H 14 N 6 , was synthesized via cyclocondensation of 5-guanidino-3-phenyl-1,2,4-triazole with acetone. Only one tautomeric form with the NH H atom vicinal to the methyl groups was observed in the crystal structure. The triazine ring adopts a flattened half-boat conformation. The dihedral angle between the triazole and phenyl rings is 9.99 (5) . The crystal packing is stabilized by intermolecular N-HÁ Á ÁN hydrogen bonds which link the molecules into a chain along the a axis.

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