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Synthesis, Spectroscopic Properties and Structural Characterization of Tri(o-chlorobenzyl)tin Ester of 4-Pyridinecarboxylic Acid
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作者 尹汉东 王其宝 薛绳才 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第1期3-3,共1页
The title complex, tri(o-chlorobenzyl)tin ester of 4-pyridinecarboxylic acid, has been synthesized by the reaction of bis[tri(2-chlorobenzyl)tin] oxide with 4-pyridinyl carboxylic acid and characterized by elemental... The title complex, tri(o-chlorobenzyl)tin ester of 4-pyridinecarboxylic acid, has been synthesized by the reaction of bis[tri(2-chlorobenzyl)tin] oxide with 4-pyridinyl carboxylic acid and characterized by elemental analysis, IR and H NMR, and its crystal structure was 1 determined by X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P21/n with a = 8.821(7), b = 18.888(15), c = 15.333(12) ?, β = 92.390(12)°, Z = 4, V = 2552(3) ?3, Dc= 1.607 g/cm3, μ = 1.340 mm-1, F(000) = 1232, R = 0.0408 and wR = 0.0962. In the molecular structure of the title complex, the tin atoms are five-coordinated into a trigonal bipyramidal geometry by coordinating to the intermolecular pyridine N atoms of carboxylate groups. The resulting structure is a one-dimensional linear polymer containing Sn–O (2.150(4) ?) and Sn–N (2.522(4) ?) bonds. 展开更多
关键词 heteroaromatic carboxylic acid tri(o-chlorobenzyl)tin SYNTHESIS crystal structure
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微波固相合成三(邻氯苄基)锡肉桂酸酯及其结构与量子化学研究 被引量:6
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作者 张复兴 王剑秋 +4 位作者 邝代治 冯泳兰 张志坚 许志锋 张可 《无机化学学报》 SCIE CAS CSCD 北大核心 2011年第6期1111-1115,共5页
三(邻氯苄基)氯化锡与肉桂酸按物质的量比1∶1,通过微波固相反应合成了三(邻氯苄基)锡肉桂酸酯。经X-射线衍射方法测定了其晶体结构,化合物属三斜晶系,空间群为P1,晶体学参数a=0.974 91(3)nm,b=1.096 57(3)nm,c=1.485 91(4)nm,α=104.11... 三(邻氯苄基)氯化锡与肉桂酸按物质的量比1∶1,通过微波固相反应合成了三(邻氯苄基)锡肉桂酸酯。经X-射线衍射方法测定了其晶体结构,化合物属三斜晶系,空间群为P1,晶体学参数a=0.974 91(3)nm,b=1.096 57(3)nm,c=1.485 91(4)nm,α=104.115 0(10)°,β=90.241 0(10)°,γ=111.715 0(10)°,V=1.423 35(7)nm3,Z=2,Dc=1.499 g.cm-3,μ(Mo Kα)=12.04 cm-1,F(000)=644,R1=0.024 9,wR2=0.083 6。中心锡与亚甲基碳和羧基氧原子构成畸型四面体。对其结构进行量子化学从头计算,探讨了配合物的稳定性、分子轨道能量以及一些前沿分子轨道的组成特征。 展开更多
关键词 微波固相合成 三(邻氯苄基)锡肉桂酸酯 晶体结构 从头计算
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两个三(邻溴苄基)锡羧酸酯的合成、结构及抗肿瘤活性 被引量:6
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作者 刘熙 张复兴 +6 位作者 何丽芳 李达伟 曾维鸿 江叔沄 贺霞 盛良兵 朱小明 《无机化学学报》 SCIE CAS CSCD 北大核心 2022年第1期46-52,共7页
合成了2个有机锡羧酸酯化合物三(邻溴苄基)锡噻吩2⁃甲酸酯(1)和三(邻溴苄基)锡肉桂酸酯(2)。通过元素分析、红外光谱、核磁共振谱(^(1)H、^(13)C和^(119)Sn)、差热分析、X射线单晶衍射方法对1和2进行了结构表征,对其结构进行了量子化学... 合成了2个有机锡羧酸酯化合物三(邻溴苄基)锡噻吩2⁃甲酸酯(1)和三(邻溴苄基)锡肉桂酸酯(2)。通过元素分析、红外光谱、核磁共振谱(^(1)H、^(13)C和^(119)Sn)、差热分析、X射线单晶衍射方法对1和2进行了结构表征,对其结构进行了量子化学从头计算。结果显示,化合物1和2均为单锡核结构,锡原子均为四配位的畸变四面体构型。体外抗癌活性研究表明化合物1和2对人乳腺癌细胞(MCF⁃7)、人非小细胞肺癌细胞(A549)和人大细胞肺癌细胞(H460)均显示出较强的抑制活性。 展开更多
关键词 三(邻溴苄基)锡噻吩2⁃甲酸酯 三(邻溴苄基)锡肉桂酸酯 晶体结构 量子化学 体外抗肿瘤活性
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Syntheses, Structures and Anticancer Activities of Two Tri(o-halobenzyl)tin Substituted Benzoates
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作者 TAN Xu-Liang ZHANG Fu-Xing +7 位作者 HE Li-Fang GUI Shi-Yin ZHANG Yi-Ling ZHU Xiao-Ming SHENG Liang-Bing FENG Yong-Lan YU Jiang-Xi JIANG Wu-Jiu 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2021年第5期675-681,531,共8页
Tri(o-chlorobenzyl)tin 2,4,6-trimethylbenzoate(1) and tri(o-bromobenzyl)tin salicylate(2) were synthesized and characterized by elemental analysis, IR spectroscopy, NMR(1H, 13C and 119Sn), thermogravimetric analysis, ... Tri(o-chlorobenzyl)tin 2,4,6-trimethylbenzoate(1) and tri(o-bromobenzyl)tin salicylate(2) were synthesized and characterized by elemental analysis, IR spectroscopy, NMR(1H, 13C and 119Sn), thermogravimetric analysis, and single-crystal X-ray diffraction. The initio calculation and in vitro anticancer activity test were performed for compounds 1 and 2. They are both single tin nucleus structures and the tin atoms were tetracoordinated in a distorted tetrahedral configuration;Compounds 1 and 2 showed stronger anticancer activity than cisplatin in human cervical cancer cells(Hela), liver cancer cells(Hu H-7), non-small cell lung cancer cells(A549), lung adenocarcinoma cells(H1975) and breast cancer(MCF-7). 展开更多
关键词 tri(o-chlorobenzyl)tin 2 4 6-trimethylbenzoate tri(o-bromobenzyl)tin salicylate crystal structure quantum chemistry in vitro antitumor activity
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