Abstract

In this study, N-(1,1′-biphenyl)-2-chlorobenzoylthiourea (HL) and its metal complexes were prepared and their structural characterization was made using elemental analysis, FT-IR, 1HNMR, HR-MS, single crystal XRD techniques, and TG/DTA analysis. The crystal structure of HL was investigated using single crystal X-ray diffraction and was observed to crystallize in the monoclinic crystal system with P 1 21/c 1 space group, Z = 4, a = 7.3291(4) Å, b = 20.7880(10) Å, c = 12.0074(6) Å. The structures of the complexes and the molecular orbitals of HL were optimized at B97D/TZVP level. Investigation of the thermal and electrochemical behaviors of the Co(II), Ni(II), and Cu(II) complexes were found to be thermally stable up to 165, 185, and 122 °C, respectively. Cell viability test MTT was made to determine anticancer activities against MCF-7 breast cancer cells and 2,2-diphenyl-1-picrilhydrazyl and 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid analysis for the antioxidant activity. The IC50 values against MCF-7 cells and was found to be in the range 24.3–49.2 µM.

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