Crystal Structure and Cyclic Voltammetric Studies on the Metal Complexes of N-(Dimethylcarbamothioyl)-4-fluorobenzamide

Abstract

We synthesized N-(dimethylcarbamothioyl)-4-fluorobenzamide compound and its copper(II) and nickel(II) complexes. The structures of compounds have been characterized by elemental analysis and spectral data (IR, 1 H NMR). Furthermore, crystal and molecular structure of the synthesized complexes have been identified by using single crystal X-ray diffraction data. In the complexes formation the metal atom was coordinated via two sulfur atoms and two oxygen atoms. The single crystal structure of copper(II) and nickel(II) complex exhibits slightly distorted square planar geometry. The oxygen atoms are in a cis configuration. It appeared that the lengths of the thiocarbonyl and carbonyl bonds are longer than the average for C=S and C=O; meanwhile the C-N bonds in the complex ring appeared to be shorter than the average for C-N single bonds. These data show that C-O, C-S, and C-N bond lengths of the complexes suggest considerable electronic delocalization in the chelate ring. All bond lengths and angles obtained as a result of the analyses are found to be within experimental error limits. The obtained crystal analysis data shows that the structure of complex compounds is compatible with similar compounds in literature. Electrochemical behavior of complexes has been investigated by cyclic voltammetry technique in aprotic media. From the cyclic voltammetric investigation, both of the complexes have demonstrated electroactive properties.

Experimental and Theoretical DFT Study of Cu(I)/N,N-Disubstituted-N′-acylthioureato Anticancer Complexes: Actin Cytoskeleton and Induction of Death by Apoptosis in Triple-Negative Breast Tumor Cells

“…When comparing the displacements for the CO and CS groups in the free ligands with the complexes obtained, it can be observed that the frequencies are reduced, which indicates that the coordination decreases the double bond character of the carbonyl and thiocarbonyl groups. In complexes 1 – 6 , the νCO band showed a significant displacement around 152–183 cm –1 for the lower energy region, as expected for the S, O coordination mode of the ligands (Figures and S7–S11). This displacement is due to the weakening of the CO group (π-electron delocalization) upon coordination of the ligand with the copper center.…”

Co(II), Ni(II), Cu(II), and Zn(II) complexes of 4‐aminoantipyrine‐derived Schiff base. Synthesis, structural elucidation, thermal, biological studies, and photocatalytic activity

“…A comparison of cyclic voltammetric data of the ligand with its metal complexes gives information about the redox reaction of the metal complexes, namely whether the redox reaction is metal‐centered or ligand‐centered. [ 35 ] The ligand shows one irreversible couple.…”

Crystal and molecular structure of bis(N-(diethylcarbamothioyl)cyclohexane carboxamido)copper(II) complex

“…Our research group is interested in the synthesis, characterization, crystal structure, biological applications, and coordination chemistry of novel thiourea derivative compounds [7,8,[54][55][56][57][58][59][60][61][62]. As a part of our ongoing studies into the structure and utility of oxygen and sulfur containing thiourea derivatives, we report the crystal structure of bis(N-(diethylcarbamothioyl) cyclohexane carboxamido)copper(II) complex.…”