1. Synthesis, Experimental and Theoretical Study of Azidochromones.
- Author
-
Narváez-Ordoñez EG, Pabón-Carcelén KA, Zurita-Saltos DA, Bonilla-Valladares PM, Yánez-Darquea TG, Ramos-Guerrero LA, Ulic SE, Jios JL, Echeverría GA, Piro OE, Langer P, Alcívar-León CD, and Heredia-Moya J
- Subjects
- Density Functional Theory, Magnetic Resonance Spectroscopy, Models, Molecular, X-Ray Diffraction, Hydrogen Bonding
- Abstract
A series of 2-(haloalkyl)-3-azidomethyl and 6-azido chromones has been synthetized, characterized and studied by theoretical (DFT calculations) and spectroscopic methods (UV-Vis, NMR). The crystal structure of 3-azidomethyl-2-difluoromethyl chromone, determined by X-ray diffraction methods, shows a planar framework due to extended π-bond delocalization. Its molecular packing is stabilized by F···H, N···H and O···H hydrogen bonds, π···π stacking and C-O···π intermolecular interactions. Moreover, AIM, NCI and Hirshfeld analysis evidenced that azido moiety has a significant role in the stabilization of crystal packing through weak intermolecular interactions, where analysis of electronic density suggested closed-shell (CS) interatomic interactions.
- Published
- 2022
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