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 group P21/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 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 branch is intermolecular. The crystal is held together by two N-H⋯N hydrogen bonds between molecules related by translation along the a axis and by π-π stacking interactions of the imidazol-4-yl-triazole ring systems and the phenyl rings across centers of inversion.
|Original language||English (US)|
|Number of pages||11|
|Journal||Journal of Crystallographic and Spectroscopic Research|
|State||Published - Aug 1987|
All Science Journal Classification (ASJC) codes
- Structural Biology
- Condensed Matter Physics