Journal
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Volume 73, Issue -, Pages 1716-+Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989017014748
Keywords
crystal structure; 1,2,3-triazole; Hirshfeld surface analysis
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Funding
- Brazilian agency National Council for Scientific and Technological Development, CNPq [305626/2013-2, 13/02311-3]
- CNPQ-TWAS
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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)degrees. The nitro group is co-planar with the benzene ring to which it is connected [C-C-N-O torsion angle = 0.4 (3)degrees]. The threedimensional packing is stabilized by a combination of methylene-C-H center dot center dot center dot O(nitro), methylene-C-H center dot center dot center dot pi(phenyl), phenyl-C-H center dot center dot center dot pi(triazolyl) and nitro-O center dot center dot center dot pi(nitrobenzene) interactions, along with weak pi(triazolyl)-pi(nitrobenzene) contacts [inter-centroid distance = 3.8386 (10) angstrom]. The importance of the specified intermolecular contacts has been verified by an analysis of the calculated Hirshfeld surface.
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