N-(naphthyl)-N '-(methoxy carbonyl)thiocarbamide and its Cu (I) complex: synthesis, spectroscopic, X-ray, DFT and in vitro cytotoxicity study

作者：Singh Durga P; Pratap Seema^*; Pandey Sunil K; Butcher Ray J; Marverti Gaetano

来源：Journal of Coordination Chemistry, 2015, 68(2): 261-276.

DOI：10.1080/00958972.2014.979165

• N-Naphthyl-N-methoxycarbonyl thiocarbamide
• Spectral techniques
• X-ray crystallography
• Trigonal planar geometry
• DFT study
• Cytotoxicity

The structural characterization of two new compounds N-naphthyl-N-methoxycarbonyl thiocarbamide (NMCT) (1) and its Cu(I) complex, bis(N-naphthyl-N-methoxycarbonyl thiocarbamide) copper(I) chloride [(NMCT)(2)CuCl] (1a) have been done by spectroscopic techniques (FT-IR, H-1 NMR, C-13 NMR and electronic spectroscopy) and X-ray crystallography. To get a deeper insight of vibrational frequencies and electronic transitions, DFT and TD-DFT studies have also been performed. X-ray study revealed trigonal planar geometry around copper(I). The ligand coordinates through thione sulfur only. The cytotoxicity of 1 and 1a has been assayed in five human carcinoma cell lines, 2008, C13* (cervical carcinoma), A2780, A2780/CP and IGROV-1 (ovarian carcinoma). Both the compounds exhibited cytotoxicity. The inhibitory activity of copper complex was better than ligand against all the cell lines.

• 出版日期2015