Synthesis and Characterization of N-((6-methylpyridin-2- yl)carbamothioyl)thiophene-2-carboxamide and its Co(II), Ni(II) and Cu(II) Complexes: Calculation of the Molecular Orbitals and Antioxidant and Antitumor Activities

Authors : Tuncay Yeşilkaynak

Pages : 1-14

Doi:10.18596/jotcsa.80465

View : 9 | Download : 7

Publication Date : 2017-01-08

Article Type : Research Paper

Abstract :N-insert ignore into journalissuearticles values(insert ignore into journalissuearticles values(6-methylpyridin-2-yl);carbamothioyl);thiophene-2-carboxamide, C 12 H 11 N 3 OS 2 insert ignore into journalissuearticles values(HL);and its Coinsert ignore into journalissuearticles values(II);, Niinsert ignore into journalissuearticles values(II); and Cuinsert ignore into journalissuearticles values(II); complexes insert ignore into journalissuearticles values(ML 2 type); have been synthesized and characterized by elemental analysis, FT-IR , 1 H-NMR and HR-MS methods. In addition, HL was characterized by single crystal X-ray difraction method. The HL crystallizes in the monoclinic crystal system with P 1 2 1 / c 1 space group, Z =4, a=7.2326insert ignore into journalissuearticles values(8); Å, b=18.3492insert ignore into journalissuearticles values(16); Å, c=9.7724insert ignore into journalissuearticles values(9); Å. The [ML 2 ] complex structures were optimized using B97D/TZVP level. Molecular orbitals of HL ligand was calculated at the same level. Antioxidant activity of the complexes were measured by using the DPPH and ABTS assays. Anticancer activity of the complex were studied MTT assay in MCF-7 breast cancer cells.  
Keywords : Thiourea, thiophene, anticancer activity, crystal structure, molecular orbita