Uracil Derivatives for Halogen-Bonded Cocrystals

Identifier:  imarina:9230605

Handle: https://hdl.handle.net/20.500.11797/imarina9230605

Authors:  Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E

Abstract:
Among non-covalent interactions, halogen bonding is emerging as a new powerful tool for supramolecular self-assembly. Here, along with a green and effective method, we report three new halogen-bonded cocrystals containing uracil derivatives and 1,2,4,5-tetrafluoro-3,6-diiodobenzene as X-bond donor coformer. These multicomponent solids were prepared both by solvent-drop grinding and solution methods and further characterized by powder and single-crystal X-ray diffraction, Fourier-transformed infrared spectroscopy, and thermal methods (TGA-DSC). In order to study the relative importance of hydrogen versus halogen bonds in the crystal packing, computational methods were applied.</p>