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

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 1 H-and 13 C-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) Å 3 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.

Synthesis, Molecular Docking, and Biological Evaluation of Some Novel Bis‐heterocyclic Compounds Based N,N′‐([1,1′‐biphenyl]‐4,4′‐diyl)bis(2‐cyanoacetamide) as Potential Anticancer Agents

“…The mass spectrum of 3b together with the elemental analysis is in agreement with structure 3 . It is observed from the spectral data for the synthesized bis‐arylidenes 3a – i that the two phenyl groups perhaps accrue a perpendicular configuration that results in inequality of the protons of the two phenyl groups and according to some reports .…”