Syntheses, Structures and Antitumor Activities of Tri(o-bromobenzyl)tin Diethyldithiocarbamate and Tri(m-fluorobenzyl)tin Pyrrolidine Dithiocarbamate  

作　　者：SHU Shan ZHANG Fu-Xing TANG Rui-Hai YAN Shi-Yu ZHU Xiao-Ming SHENG Liang-Bing KUANG Dai-Zhi FENG Yong-Lan YU Jiang-Xi JIANG Wu-Jiu 舒珊;张复兴;唐瑞海;严诗宇;朱小明;盛良兵;邝代治;冯泳兰;庾江喜;蒋伍玖(Department of Chemistry and Material Science,Hengyang Normal University,Key Laboratory of Functional Metal-organic Complexes of Hunan Province,Key Laboratory of Functional Organometallic Materials of Colleges of Hunan Province,Hengyang,Human 421008,china)

机构地区：[1]Department of Chemistry and Material Science,Hengyang Normal University,Key Laboratory of Functional Metal-organic Complexes of Hunan Province,Key Laboratory of Functional Organometallic Materials of Colleges of Hunan Province,Hengyang,Human 421008,china

出　　处：《Chinese Journal of Structural Chemistry》2020年第3期459-466,377,共9页结构化学（英文）

基　　金：Supported by the Open Fund Project of Innovation Platform Hunan Province Higher Educational Institutions(18K089);the Fund for the Applied Key Discipline of Hunan Province;the Support Plan for University Science and Technology Innovation Team of Hunan Province;Aid programs for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province。

摘　　要：Tri(o-bromobenzyl)tin diethyldithiocarbamate(1) and tri(m-fluorobenzyl)tin pyrrolidine dithiocarbamate(2) have been synthesized and characterized by elemental analysis, IR spectroscopy, NMR(~1 H, ^(13)C and ^(119)Sn), thermogravimetric analysis and single-crystal X-ray diffraction. The two complexes crystallize in the triclinic system space group P1. For complex 1, a = 0.9770(1), b = 1.1011(1), c = 1.4583(1) nm, α = 78.431(1)°, β = 86.307(1)°, γ = 69.712(1)°, V = 1.4417(2) nm^3, Z = 2, Dc = 1.790 g/cm^3, m(Mo Kα) = 52.04 cm–1, F(000) = 756, R = 0.0434 and wR = 0.0593. For complex 2, a = 0.7055(1), b = 1.3349(3), c = 1.3782(3) nm, α = 89.216(2)°, β = 82.044(2)°, γ = 84.637(2)°, V = 1.2799(5) nm^3, Z = 2, Dc = 1.537 g/cm^3, m(Mo Kα) = 11.98 cm^(–1), F(000) = 596, R = 0.0313 and wR = 0.0333. The two complexes represent mononuclear structures with five-coordinated [SnC3S2] cores forming a distorted trigonal bipyramid. The quantum chemical calculations of 1 and 2 have been investigated. The antitumor activity shows that 1 and 2 have higher activities than cisplatinum against Colo205, HepG2, MCF-7, Hela and H460 cell line in vitro.

关 键 词：tri(o-bromobenzyl)tin DIETHYLDITHIOCARBAMATE tri(m-fluorobenzyl)tin pyrrolidine dithiocarbamate crystal structure quantum chemistry in vitro antitumor activity 

分 类 号：O626[理学—有机化学] TQ463[理学—化学]