C. Afshar, H. Berman, P. Sawzik
Aug 1, 1987
Citations
0
Influential Citations
6
Citations
Journal
Journal of Crystallographic and Spectroscopic Research
Abstract
The title compound was prepared during the course of an attempt to synthesize 8-amino-3-benzyl-6-methylimidazo[4,5-e][1,2,4]triazepine. The crystals are monoclinic, space groupP21/c,a=6.2375(5),b=9.1070(8),c=22.182(2) Å,β=91.797(7)°,Z=4. The structure was solved by direct methods and refined by least squares toR=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 branch is intermolecular. The crystal is held together by two N-H⋯N hydrogen bonds between molecules related by translation along thea axis and byπ-π stacking interactions of the imidazol-4-yl-triazole ring systems and the phenyl rings across centers of inversion.