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4-Benzyl-1-(4-nitro-phen-yl)-1-1,2,3-triazole: Crystal Structure and Hirshfeld Analysis

Overview
Journal Acta Crystallogr E Crystallogr Commun
Date 2017 Nov 21
PMID 29152358
Citations 4
Authors
Julio Zukerman-Schpector
Sofia Dallasta Pedroso
Lucas Sousa Madureira
Marcio Weber Paixao
Akbar Ali
Edward R T Tiekink
Affiliations
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Abstract

The mol-ecule in the title compound, CHNO, has a twisted -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 methyl-ene-C-H⋯O(nitro), methyl-ene-C-H⋯π(phen-yl), phenyl-C-H⋯π(triazol-yl) and nitro-O⋯π(nitro-benzene) inter-actions, along with weak π(triazol-yl)-π(nitrobenzene) contacts [inter-centroid distance = 3.8386 (10) Å]. The importance of the specified inter-molecular contacts has been verified by an analysis of the calculated Hirshfeld surface.

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