Crystal Structure and Binding Properties of a New Diethoxycarbonyl Glycoluril Derivative:C₄₆H₃₄Cl₄N₄O₈

【摘要】 A new clip molecule 1 based on diethoxycarbonyl glycoluril, C46H34Cl4N4O8, has been synthesized and characterized by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 11.3674(8), b = 11.3674(8), c = 16.9704(12)A, α = 70.0690(10), β = 72.2310(10), γ = 78.0880(10)°, V = 1993.2(2) A3, Z = 2, Dc = 1.521 g/cm3, μ(MoKα) = 0.361 mm-1, F(000) = 940, the final R = 0.0422 and wR = 0.1144 for 22997 observed reflections with I > 2A(I). The crystal structural analysis shows that C–H···O and C–H···Cl hydrogen bonds, C–H···π, C–Cl···π supramolecular interactions, and π-π packing interaction stabilized the whole crystal structure. The binding study by fluorescence spectroscope titration showed that the title molecule can selectively recognize Fe3+ with fluorescence quenching.更多还原

【Abstract】 A new clip molecule 1 based on diethoxycarbonyl glycoluril, C46H34Cl4N4O8, has been synthesized and characterized by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 11.3674(8), b = 11.3674(8), c = 16.9704(12)A, α = 70.0690(10), β = 72.2310(10), γ = 78.0880(10)°, V = 1993.2(2) A3, Z = 2, Dc = 1.521 g/cm3, μ(MoKα) = 0.361 mm-1, F(000) = 940, the final R = 0.0422 and wR = 0.1144 for 22997 observed reflections with I > 2A(I). The crystal structural analysis shows that C–H···O and C–H···Cl hydrogen bonds, C–H···π, C–Cl···π supramolecular interactions, and π-π packing interaction stabilized the whole crystal structure. The binding study by fluorescence spectroscope titration showed that the title molecule can selectively recognize Fe3+ with fluorescence quenching.更多还原