In the title compound, C18H14N6O2, the benzene ring is slightly twisted out of the plane of the 1,2,3-triazole ring (r.m.s. deviation = 0.010 Å), forming a dihedral angle of 6.20 (13)°. The nine non-H ring atoms of the fused five- and six-membered ring system are almost coplanar (r.m.s. deviation = 0.032 Å). The near coplanarity in the central residue is consolidated by an intra-molecular bifurcated N-H⋯(O,N) hydrogen bond. The conformation about the N=C bond is Z. In the crystal, supra-molecular chains along [101] are sustained by N-H⋯O hydrogen bonds and C-H⋯O inter-actions. These are consolidated into a three-dimensional architecture by C-H⋯π and π-π inter-actions; the latter occur between centrosymmetrically related 1,2,3-triazole rings [centroid-centroid distance = 3.6056 (14) Å].
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629624 | PMC |
http://dx.doi.org/10.1107/S1600536813007502 | DOI Listing |
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