Structure of a rearrangement product: 1-methyl-3-(5-amino-1-benzylimidazol-4-yl)-1,2,4-triazole, C13H14N6

Article abstract of DOI:10.1007/BF01180325

The title compound was prepared during the course of an attempt to synthesize 8-amino-3-benzyl-6-methylimidazo<4,5-e>triazepine.The crystals are monoclinic, space group P2₁/c, a = 6.2375(5), b = 9.1070(8), c = 22.182(2) Angstroem, β = 91.797(7) deg, Z = 4.The structure was solved by direct methods and refined by least squares to R = 0.063 on all 2142 measured reflections.The imidazol-4-yl-triazole system is planar, conjugated, and aromatic.One hydrogen atom of the exocyclic amino group is involved in a bifurcated hydrogen bond, of which one branch is an intramolecular attraction to a triazole ring nitrogen atom, while the other ...