4-Benzyl-1-(4-nitrophenyl)-1 H -1,2,3-triazole: Crystal structure and Hirshfeld analysis

Abstract

The molecule in the title compound, C 15 H 12 N 4 O 2, has a twisted L-shape with the dihedral angle between the aromatic rings of the N-bound benzene and C-bound benzyl groups being 70.60(9)°. The nitro group is co-planar with the benzene ring to which it is connected [C - C - N - O torsion angle = 0.4(3)°]. The three-dimensional packing is stabilized by a combination of methylene-C - H⋯O(nitro), methylene-C - H⋯π(phenyl), phenyl-C - H⋯π(triazolyl) and nitro-O⋯π(nitrobenzene) interactions, along with weak π(triazolyl)-π(nitrobenzene) contacts [inter-centroid distance = 3.8386(10)Å]. The importance of the specified intermolecular contacts has been verified by an analysis of the calculated Hirshfeld surface.