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3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).

Dolzhenko AV, Tan GK, Koh LL, Dolzhenko AV, Chui WK - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), 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 mol-ecule 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.

No MeSH data available.


Possible tautomers of 3(5)-phenyl-1,2,4-triazol-5(3)-amine.
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Fap1: Possible tautomers of 3(5)-phenyl-1,2,4-triazol-5(3)-amine.


3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).

Dolzhenko AV, Tan GK, Koh LL, Dolzhenko AV, Chui WK - Acta Crystallogr Sect E Struct Rep Online (2008)

Possible tautomers of 3(5)-phenyl-1,2,4-triazol-5(3)-amine.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2968046&req=5

Fap1: Possible tautomers of 3(5)-phenyl-1,2,4-triazol-5(3)-amine.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), 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 mol-ecule 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.

No MeSH data available.