Synthesis and Crystal Structure of 1,4,7,10-Tetrakis-(2-(2,3-difluorophenyl)-ethyl)-1,4,7,10-tetraazacyclododecane  

作　　者：孙小强 崔源 张秀芹 陈强 席海涛 

机构地区：[1]Key Laboratory of Fine Petrochemical Engineering,Jiangsu Polytechnic University [2]High Technology Research Institute of Nanjing University

出　　处：《Chinese Journal of Structural Chemistry》2011年第1期7-11,共5页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China (20872051)

摘　　要：The new compound 1,4,7,10-tetrakis-（2-（2,3-difluorophenyl） ethyl） -1,4,7,10-tetra-zacyclododecane 2 has been synthesized and structurally characterized by single-crystal X-ray diffraction. The molecule turned into diamond crystals grown from CH3CN by slow diffusion at room temperature. It crystallizes in the triclinic system,space group P1^- with a = 9.543（2） ,b = 10.507（3） ,c = 10.734（3） A,α = 60.979（3） ,β = 81.870（4） ,γ = 84.279（4） o,V = 931.1（4） 3,Z = 1,Dc = 1.307 g/cm^3,C40H44F8N4,Mr = 732.79,F（000） = 384,μ = 0.105 mm^-1,T = 296（2） K,MoKa radiation（λ = 0.71073） ,R = 0.0494 and wR = 0.0989 for 1589 observed reflections with I 〉 2σ（I） . Hydrogen bonds and C-H···π stacking interactions in 2 contribute to a supramolecular structure. Moreover,compound 2 has been determined by ^1H NMR,^13C NMR,MS,IR spectra and elemental analysis.The new compound 1,4,7,10-tetrakis-（2-（2,3-difluorophenyl） ethyl） -1,4,7,10-tetra-zacyclododecane 2 has been synthesized and structurally characterized by single-crystal X-ray diffraction. The molecule turned into diamond crystals grown from CH3CN by slow diffusion at room temperature. It crystallizes in the triclinic system,space group P1^- with a = 9.543（2） ,b = 10.507（3） ,c = 10.734（3） A,α = 60.979（3） ,β = 81.870（4） ,γ = 84.279（4） o,V = 931.1（4） 3,Z = 1,Dc = 1.307 g/cm^3,C40H44F8N4,Mr = 732.79,F（000） = 384,μ = 0.105 mm^-1,T = 296（2） K,MoKa radiation（λ = 0.71073） ,R = 0.0494 and wR = 0.0989 for 1589 observed reflections with I 〉 2σ（I） . Hydrogen bonds and C-H···π stacking interactions in 2 contribute to a supramolecular structure. Moreover,compound 2 has been determined by ^1H NMR,^13C NMR,MS,IR spectra and elemental analysis.

关 键 词：synthesis crystal structure CYCLEN tetra-N-alkylation 

分 类 号：O621.3[理学—有机化学]