The title compound 1,4,7,10-tetrakis（2-（4-methoxyphenoxy）ethyl）-1,4,7,10-tetraazacyclododecane hydrobromide derivated from cyclen has been synthesized by 4-methoxyphenol via two steps and characterized by ^1H NMR ...The title compound 1,4,7,10-tetrakis（2-（4-methoxyphenoxy）ethyl）-1,4,7,10-tetraazacyclododecane hydrobromide derivated from cyclen has been synthesized by 4-methoxyphenol via two steps and characterized by ^1H NMR and X-ray single-crystal diffraction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 17.3174（15）, b = 12.9891（11）, c = 19.3379（17） A, V = 4349.8（7） ？3, Z = 4, Dc = 1.304 g/cm3, Mr = 853.87, F（000） = 1808, μ = 1.001 mm^-1, Mo Ka radiation（λ = 0.71073 A）, R = 0.0467 and w R = 0.1045 for 2774 observed reflections with I 〉 2σ（I）. X-ray structural analysis reveals that the molecular structure of the title compound is stabilized by intramolecular C–H···O and C–H···Br hydrogen-bonding interactions, and a 3D 2-fold interpenetrated supramolecular framework is constructed by intermolecular C–H···O and C–H···Br hydrogen-bonding interactions.展开更多
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 si...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).展开更多
基金Supported by the National Natural Science Foundation of China(Nos.21572026 and 21002009)the Scientific and Technological Project of Changzhou(CE20135009)Changzhou University,Advanced Catalysis and Green Manufacturing Collaborative Innovation Center
文摘The title compound 1,4,7,10-tetrakis（2-（4-methoxyphenoxy）ethyl）-1,4,7,10-tetraazacyclododecane hydrobromide derivated from cyclen has been synthesized by 4-methoxyphenol via two steps and characterized by ^1H NMR and X-ray single-crystal diffraction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 17.3174（15）, b = 12.9891（11）, c = 19.3379（17） A, V = 4349.8（7） ？3, Z = 4, Dc = 1.304 g/cm3, Mr = 853.87, F（000） = 1808, μ = 1.001 mm^-1, Mo Ka radiation（λ = 0.71073 A）, R = 0.0467 and w R = 0.1045 for 2774 observed reflections with I 〉 2σ（I）. X-ray structural analysis reveals that the molecular structure of the title compound is stabilized by intramolecular C–H···O and C–H···Br hydrogen-bonding interactions, and a 3D 2-fold interpenetrated supramolecular framework is constructed by intermolecular C–H···O and C–H···Br hydrogen-bonding interactions.
文摘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).
