Preparation, structural characterization, voltammetry and Hirshfeld surface analysis of homoleptic iron(III) thiosemicarbazone complexes

Synthesis, Structural Characterization, X‐ray, Hirshfeld Surfaces, DFT calculations, In Silico ADME Approach and a Molecular Docking Study of a New Nickel(II) Complex

“…In general, the absorption spectra in the IR region of the complexes are marked by significant displacements in the wave numbers of stretches ν(C=S), ν(C=C+C−N) e ν(N−H) when compared to the free ligand. These shifts are consistent with the coordination mode of a tridentate‐ NNS thiosemicarbazone containing sulfur atoms, an azomethine nitrogen and a pyridine nitrogen atom [15,23,24] . The first evidence of coordination was shown by displacements in the absorption bands in the spectrum in the infrared region of the ligands, comparing it to the complexes spectra.…”

“…These shifts are consistent with the coordination mode of a tridentate-NNS thiosemicarbazone containing sulfur atoms, an azomethine nitrogen and a pyridine nitrogen atom. [15,23,24] The first evidence of coordination was shown by displacements in the absorption bands in the spectrum in the infrared region of the ligands, comparing it to the complexes spectra. The change in IR after complexation is evident due to the disappearance of one of the NÀ H bands, due to the deprotonation of the ligands.…”

Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?

“…The metrical parameters for complexes 1 , 3 and 4 , 5 summarized in Table 1 are comparable to those for Co( iii ) 35–37 and iron( iii ) complexes, 33,38–40 respectively, with related TSCs.…”