Synthesis and Crystal Structure of the Hydrogen Bromide Salt of 1,4,7,10-Tetrakis(2-((4-methoxy)phenoxy) ethyl)-1,4,7,10-tetraazacyclododecane  

作　　者：Wei Zhao Yun Wang Aijian Wang 

机构地区：[1]School of Energy & Power Engineering, Jiangsu University, Zhenjiang, China [2]School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang, China

出　　处：《Journal of Materials Science and Chemical Engineering》2017年第10期1-11,共11页材料科学与化学工程（英文）

摘　　要：A novel molecule tetra-N-alkylation of cyclen (1,4,7,10-tetraazacyclododecane), 1,4,7,10-tetrakis(2-((4-methoxy)phenoxy)ethyl)-1,4,7,10-tetraazacyclododecane 1, was synthesized and structurally characterized by the single-crystal X-ray diffraction. The crystals were obtained from ethanol by slow evapora-tion at room temperature and the four hydroquinone groups of the benzene ring formed a π-electron-rich cavity by C-H···Br stacking interaction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 17.3174(15), b = 12.9891(11), c = 19.3379(17) ?, α= β = γ = 90°, V = 4349.8(7) ?3, Z = 4, Dc = 1.304 g/cm3, C44H61 BrN4O8, Mr = 853.88, F(000) = 1808, μ = 1.001 mm?1, CuKa radiation (λ = 0.71073), R = 0.0434 and wR = 0.1091 for 5200 observed reflections with I > 2σ(I).A novel molecule tetra-N-alkylation of cyclen (1,4,7,10-tetraazacyclododecane), 1,4,7,10-tetrakis(2-((4-methoxy)phenoxy)ethyl)-1,4,7,10-tetraazacyclododecane 1, was synthesized and structurally characterized by the single-crystal X-ray diffraction. The crystals were obtained from ethanol by slow evapora-tion at room temperature and the four hydroquinone groups of the benzene ring formed a π-electron-rich cavity by C-H···Br stacking interaction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 17.3174(15), b = 12.9891(11), c = 19.3379(17) ?, α= β = γ = 90°, V = 4349.8(7) ?3, Z = 4, Dc = 1.304 g/cm3, C44H61 BrN4O8, Mr = 853.88, F(000) = 1808, μ = 1.001 mm?1, CuKa radiation (λ = 0.71073), R = 0.0434 and wR = 0.1091 for 5200 observed reflections with I > 2σ(I).

关 键 词：Synthesis Crystal Structure CYCLEN DERIVATIVE 

分 类 号：O6[理学—化学]