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| Synthesis and Crystal Structure of 1,4,7,10-Tetrakis （2-（（4-hydroxy）phenoxy）ethyl）-1,4,7,10- tetraazacyclododecane | |
| 引用本文： | 席海涛,王爱健,孙小强,张秀芹,陈强.Synthesis and Crystal Structure of 1,4,7,10-Tetrakis （2-（（4-hydroxy）phenoxy）ethyl）-1,4,7,10- tetraazacyclododecane[J].结构化学,2009,28(10):1210-1216. |
| 作者姓名： | 席海涛 王爱健 孙小强 张秀芹 陈强 |
| 作者单位： | Laboratory;Fine;Petrochemical;Engineering;Jiangsu;Polytechnic;University;High;Technology;Research;Institute;Nanjing; |
| 基金项目： | supported by the National Natural Science Foundation of China (20872051) |
| 摘 要： | A novel molecule tetra-N-alkylation of cyclen （1,4,7,10-tetraazacyclododecane）, 1,4,7,10-tetrakis（2-（（4-hydroxy）phenoxy）ethyl）-1,4,7,10-tetraazacyclododecane 2, was synthesized and structurally characterized by single-crystal X-ray diffraction. The molecule turned into chiral helical compound crystals grown from EtOH by slow diffusion at room temperature and three of the four hydroquinone groups of the benzene ring formed a g-electron-rich cavity by C-H…π stacking interaction. The crystal belongs to the monoclinic system, space group P21/C with a = 13.9192（9）, b = 13.2871（6）, c = 22.1894（15）A^°, β = 91.4600（10）°, V = 4102.5（4）A^°3, Z = 4, Dc = 1.219 g/cm^3, C40H52N4O8, Mr = 752.89, F（000） = 1616,μ = 0.088 mm^-1, MoKa radiation （λ = 0.71073）, R = 0.0578 and wR = 0.1389 for 5588 observed reflections with I 〉 2σ（I）. Moreover, compound 2 was characterized with ^1H NMR, ^13C NMR, IR spectra and MS. |
| 关 键 词： | 晶体结构 氮杂 合成 乙基 氧基 羟基 单晶X射线衍射 手性化合物 |
Synthesis and Crystal Structure of 1,4,7,10-Tetrakis (2-((4-hydroxy)phenoxy)ethyl)-1,4,7,10-tetraazacyclododecane |
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| XI Hai-Tao,WANG Ai-Jian,SUN Xiao-Qiang,ZHANG Xiu-Qin,CHEN Qiang.Synthesis and Crystal Structure of 1,4,7,10-Tetrakis (2-((4-hydroxy)phenoxy)ethyl)-1,4,7,10-tetraazacyclododecane[J].Chinese Journal of Structural Chemistry,2009,28(10):1210-1216. | |
| Authors: | XI Hai-Tao WANG Ai-Jian SUN Xiao-Qiang ZHANG Xiu-Qin CHEN Qiang |
| Institution: | 1. Key Laboratory of Fine Petrochemical Engineering,Jiangsu Polytechnic University,Changzhou 213162,China 2. Key Laboratory of Fine Petrochemical Engineering,Jiangsu Polytechnic University,Changzhou 213162,China;High Technology Research Institute of Nanjing University,Changzhou 213162,China 3. High Technology Research Institute of Nanjing University,Changzhou 213162,China |
| Abstract: | A novel molecule tetra-N-alkylation of cyclen (1,4,7,10-tetraazacyclododecane),1,4,7,10-tetrakis(2-((4-hydroxy)phenoxy)ethyl)-1,4,7,10-tetraazacyclododecane 2,was synthesized and structurally characterized by single-crystal X-ray diffraction. The molecule turned into chiral helical compound crystals grown from EtOH by slow diffusion at room temperature and three of the four hydroquinone groups of the benzene ring formed a π-electron-rich cavity by C-H……πstacking interaction. The crystal belongs to the monoclinic system,space group P2_(1/c) with α=13.9192(9),b =13.2871(6),c=22.1894(15)(A),β=91.4600(10),V=4102.5(4)(A)~3,Z=4,Dc=1.219 g/cm~3,C_(40)H_(52)N_4O_8,M_r=752.89,F(000)=1616,μ=0.088 mm~(-1),MoKa radiation (λ=0.71073),R= 0.0578 and wR=0.1389 for 5588 observed reflections with Ⅰ>2σ(Ⅰ). Moreover,compound 2 was characterized with ~1H NMR,~(13)C NMR,IR spectra and MS. |
| Keywords: | synthesis crystal structure cyclen tetra-N-alkylation |
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