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 b...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.展开更多
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...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.展开更多
基金supported by the National Natural Science Foundation of China (20872051)
文摘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.
基金supported by the National Natural Science Foundation of China (20872051)
文摘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.
