The mol-ecule 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 70.60â (9)°. The nitro group is co-planar with the benzene ring to which it is connected [C-C-N-O torsion angle = 0.4â (3)°]. The three-dimensional packing is stabilized by a combination of methyl-ene-C-Hâ¯O(nitro), methyl-ene-C-Hâ¯Ï(phen-yl), phenyl-C-Hâ¯Ï(triazol-yl) and nitro-Oâ¯Ï(nitro-benzene) inter-actions, along with weak Ï(triazol-yl)-Ï(nitrobenzene) contacts [inter-centroid distance = 3.8386â (10)â à ]. The importance of the specified inter-molecular contacts has been verified by an analysis of the calculated Hirshfeld surface.
4-Benzyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis.
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作者:Zukerman-Schpector Julio, Dallasta Pedroso Sofia, Sousa Madureira Lucas, Weber Paixão Márcio, Ali Akbar, Tiekink Edward R T
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2017 | 起止号: | 2017 Oct 20; 73(Pt 11):1716-1720 |
| doi: | 10.1107/S2056989017014748 | ||
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