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

• Main Authors: Zukerman-Schpector, Julio, Dallasta Pedroso, Sofia, Sousa Madureira, Lucas, Weber Paixão, Márcio, Ali, Akbar, Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017
• Subjects: QD Chemistry
• Online Access: http://eprints.sunway.edu.my/632/1/Acta%20Cryst.%20%282017%29.%20E73%2C%201716.pdf; http://eprints.sunway.edu.my/632/; http://dx.doi.org/10.1107/S2056989017014748

The mol­ecule in the title compound, C15H12N4O2, 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.