Crystal Structure and Binding Properties of a New Molecular Clip Based on Diethoxycarbonyl Glycoluri

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A new molecular clip based on diethoxycarbonyl glycoluril 5: C42H36N6O6 , has been synthesized and characterized by single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group Pbca with a=12.7639(5), b=16.9727(7),c=34.2069(14) , V=7410.5(5)3 , Z=8, Dc=1.292 g/cm3 , μ(MoKα)=0.088 mm-1 , F(000)=3024, the final R=0.0655 and wR=0.1566 for 5123 observed reflections with I>2σ(I). The crystal structural analysis shows that intermolecular c-H…O and C-H…N hydrogen bonds stabilized the whole crystal structure. The binding study by fluorescence spectroscope titration showed that the title molecule can selectively recognize Fe3+ with fluorescence quenching. A new molecular clip based on diethoxycarbonyl glycoluril 5: C42H36N6O6, has been synthesized and characterized by single-crystal X-ray diffraction. The crystal belongs to orthorhombic space group Pbca with a = 12.7639 (5), b = 16.9727 the final R = 0.0655 and wR (000) = 3024, μ (MoKα) = 0.088 mm-1, V = 7410.5 (5) 3, Z = 8, Dc = 1.292 g / = 0.1566 for 5123 observed reflections with I> 2σ (I). The crystal structural analysis shows that intermolecular cH ... O and CH ... N hydrogen bonds stabilized the whole crystal structure. The binding study by fluorescence spectroscopy titration showed that the title molecule can recognize Fe3 + with fluorescence quenching.
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