5-Methyl-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-yl-idene]-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide.

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 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?? and ?-? inter-actions; the latter occur between centrosymmetrically related 1,2,3-triazole rings [centroid-centroid distance = 3.6056?(14)?Å].

SUBMITTER: Mohamed HA 

PROVIDER: S-EPMC3629624 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature