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1-[2-(1H-Benzimidazol-2-yl)eth-yl]-1H-1,2,3-benzotriazole.


ABSTRACT: In the title compound, C(15)H(13)N(5), the N-containing heterocycles are linked by an ethyl-ene spacer in a gauche conformation, the N-C-C-C torsion angle along the linker being 60.1?(3)°. The dihedral angle between the terminal benzotriazole and benzimidazole rings is 39.02?(6)°. In the crystal, adjacent mol-ecules are connected by N-H?N hydrogen bonds, forming an infinite chain along the c axis. ?-? stacking inter-actions [centroid-centroid distance = 3.8772?(7)?Å] between the benzotriazole rings of neighbouring chains extend these chains into a supra-molecular sheet in the bc plane. Weak inter-molecular C-H?N inter-actions further stabilize the crystal structure.

SUBMITTER: Zhang Z 

PROVIDER: S-EPMC3238838 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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1-[2-(1H-Benzimidazol-2-yl)eth-yl]-1H-1,2,3-benzotriazole.

Zhang Zhong Z   Lu Wei W   Wu Difeng D  

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12


In the title compound, C(15)H(13)N(5), the N-containing heterocycles are linked by an ethyl-ene spacer in a gauche conformation, the N-C-C-C torsion angle along the linker being 60.1 (3)°. The dihedral angle between the terminal benzotriazole and benzimidazole rings is 39.02 (6)°. In the crystal, adjacent mol-ecules are connected by N-H⋯N hydrogen bonds, forming an infinite chain along the c axis. π-π stacking inter-actions [centroid-centroid distance = 3.8772 (7) Å] between the benzotriazole ri  ...[more]

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