SYNTHESIS, X-RAY CRYSTALLOGRAPHY, HIRSHFELD SURFACE AND 3D ENERGY FRAMEWORK ANALYSIS OF TWO IMIDAZOLE DERIVATIVES

Abstract

Heterocyclic compounds play an important role in organic chemistry due to their wide variety of applications in pharmacy, veterinary science and agriculture. Many significant heterocycles having application in medicinal chemistry and material science has nitrogen fused heterocyclic imidazole ring as common structural motifs. Imidazoles are one among the heterocyclic compounds which show significant pharmacological properties. Due to the importance of imidazole derivatives two compounds2-(5-(3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl)thiophen-2-yl)-6-fluorobenzaldehyde and Methyl-3-(tert-butylamino)-2-(pyridin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate has been synthesized, and the structures were confirmed by single crystal X-ray diffraction studies. In the crystals, molecules are linked by intermolecular C-H…S, N-H…N, and C-H…N hydrogen bonds. Both compounds exhibits , and C-H… interactions. Hirshfeld surface analysis revealed that in both compounds H…H interactions have the major contribution to the molecular surface. From the energy framework analysis, it was found that the dispersion components have a major contribution in crystal.