Quantitative intermolecular interactions analysis for amide-amide hydrogen-bonded synthons: Insilico studies for Cox-2 selective inhibitors

Abstract

Synthesis and characterization of diaryl fragment based pyridazine and triazine derivatives containing amide functional group have been carried out for the studies of amide-amide hydrogen-bonded synthons formation. The supramolecular synthons formations in solid state have been carried out by x-ray crystallography and Hirshfeld surface analysis. The crystal structure and Hirshfeld surface analysis have shown that synthons formation takes place by N-H⋯O interactions as well as some other interactions that stabilized the molecules. Further, insilico studies have been carried out for COX-2 selective Inhibitor. © 2023