NMR and X-ray Studies Concerning Structure of 6,6’-(Oxybis(4,1-phenylene))bis-(2-allylpyridazin- 3(2H)-one)

Abstract

Abstract The structural NMR and X-ray studies of 6,6’-(Oxybis(4,1- phenylene))bis-(2-allylpyridazin-3(2H)-one), a bis-pyridazine derivative heterocycle, are reported in this study. Both 1H- and 13C- NMR confirm the proposed structure of compound. In order to establish unequivocally the structure of compound, the X-ray data analysis was performed. The compound crystallizes in the triclinic P-1(2) space group with a = 10.3699(7) Å, b = 10.6972(6) Å, c = 11.0449(4) Å, α = 87.941(5)°, β = 75.564(5)°, γ = 72.055(5)°, V= 1127.68 (12) Å3 and Z = 2. Molecular and crystal packing parameters for the novel heterocyclic system were obtained from intensity data collected at room temperature. The two phenyl rings (from the diphenyl ether moiety) are perpendicular one to each other and, on its turn, each phenyl ring is almost coplanar with the pyridazine ring