Synthesis and Conformational Analysis of [3-(6-Chloropyridazin-3-yl)-3,4-Dihydropyridazino[4,5-b]Quinoxalin-2(1De )-yl](Phenyl)Methanone

International audience[3-(6-Chloropyridazin-3-yl)-3,4-dihydropyridazino[4,5-b]quinoxalin-2(1H) -yl](phenyl)methanone has been synthesized and its two stable forms were isolated. For the establishment of their structures, B3LYP geometry and energy and GIAO/B3LYP NMR calculations of possible conformers using the polarizable continuum model were performed. The differences in calculated spectra allow attributing calculated structures and obtained substances by their H-1 and C-13 NMR. The conformer ratio correlates with their calculated Gibbs energies