Please use this identifier to cite or link to this item: https://doi.org/10.1107/S1600536808042165
Title: 3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1)
Authors: Dolzhenko, A.V. 
Tan, G.K.
Koh, L.L. 
Dolzhenko, A.V. 
Chui, W.K. 
Issue Date: 2008
Citation: Dolzhenko, A.V., Tan, G.K., Koh, L.L., Dolzhenko, A.V., Chui, W.K. (2008). 3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1). Acta Crystallographica Section E: Structure Reports Online 65 (1) : o126-. ScholarBank@NUS Repository. https://doi.org/10.1107/S1600536808042165
Abstract: In the title compound, C8H8N4· C8H8N4, two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine molecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3 (2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, the mean planes of the phenyl and 1,2,4-triazole rings form a dihedral angle of 30.8 (2)°. The π-electron delocalization of the amino group with the 1,2,4-triazole nucleus in the 3-phenyl-1,2,4-triazol-5-amine mol-ecule is more extensive than that in the 5-phenyl-1,2,4-triazol-3-amine tautomer. The mol-ecules are linked into a two-dimensional network parallel to (100) by N - H⋯N hydrogen bonds.
Source Title: Acta Crystallographica Section E: Structure Reports Online
URI: http://scholarbank.nus.edu.sg/handle/10635/92909
ISSN: 16005368
DOI: 10.1107/S1600536808042165
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