Abstract
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 intramolecular bifurcated N—H⋯(O,N) hydrogen bond. The conformation about the N=C bond is Z. In the crystal, supramolecular chains along [101] are sustained by N—H⋯O hydrogen bonds and C—H⋯O interactions. These are consolidated into a three-dimensional architecture by C—H⋯π and π–π interactions; the latter occur between centrosymmetrically related 1,2,3-triazole rings [centroid–centroid distance = 3.6056 (14) Å].
Highlights
In the title compound, C18H14N6O2, the benzene ring is slightly twisted out of the plane of the 1,2,3-triazole ring
The near coplanarity in the central residue is consolidated by an intramolecular bifurcated N—H (O,N)
Supramolecular chains along [101] are sustained by N—H O hydrogen bonds and C—H O interactions
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.16 e Å3. 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 sixmembered ring system are almost coplanar The near coplanarity in the central residue is consolidated by an intramolecular bifurcated N—H (O,N). Supramolecular chains along [101] are sustained by N—H O hydrogen bonds and C—H O interactions. These are consolidated into a three-dimensional architecture by C—H and – interactions; the latter occur between centrosymmetrically related 1,2,3-triazole rings [centroid–.
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More From: Acta Crystallographica Section E Structure Reports Online
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