In this work the X-Ray diffraction study of fluorine-functionalized thiosemicarbazone ligands and their corresponding cyclometallated compounds is discussed. The results are in agreement with previous characterization by IR spectroscopy, ¹H and ¹⁹F NMR spectroscopies.

Suitable crystals were obtained for a thiosemicarbazone ligand and a cyclometallated compound. The crystal structure analyses are in accordance with the proposed structures: a thiosemicarbazone ligand fluorine-functionalized and a cyclometallated compound in which the thiosemicarbazone is a tridentate [C, N, S] donor ligand. A comparative study of bond distances and angles is shown, providing information about the coordination of the ligand to the metal center.