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.

摘要

本研究制备了N -(1,1'-联苯)-2-氯苯甲酰硫脲 (HL) 及其金属配合物，并通过元素分析、FT-IR、1 HNMR、HR-MS、单晶分析对其进行了结构^表征。 XRD 技术和 TG/DTA 分析。使用单晶X 射线衍射研究了 HL 的晶体结构，观察到 HL 在具有P 1 21/c 1 空间群的单斜晶系中结晶，Z  = 4，a  = 7.3291(4) Å，b  = 20.7880 (10) Å, c = 12.0074(6) Å。复合物的结构和 HL 的分子轨道在 B97D/TZVP 水平上进行了优化。对 Co(II)、Ni(II) 和 Cu(II) 配合物的热和电化学行为的研究表明，它们分别在高达 165、185 和 122 °C 时保持热稳定性。细胞活力测试 MTT 用于确定对 MCF-7 乳腺癌细胞的抗癌活性，2,2-二苯基-1-苦肼基和 2,2'-偶氮二-(3-乙基苯并噻唑啉-6-磺酸) 分析抗氧化活性。针对 MCF-7 细胞的IC ₅₀值被发现在 24.3–49.2 µM 范围内。