Crystal Structure and Binding Properties of a New Molecular Clip Based on Diethoxycarbonyl Glycoluril: C_(42)H_(36)N_6O_6  

作　　者：胡胜利 王治国 殷国栋 陶清 郑静 

机构地区：[1]Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemical and Environmental Engineering, Hubei Normal University [2]School of Chemical and Materials Engineering, Huangshi Institute of Technology

出　　处：《Chinese Journal of Structural Chemistry》2012年第11期1569-1574,共6页结构化学（英文）

基　　金：supported by the Hubei Province Education Ministry Foundation of China(No.D20112507)

摘　　要：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） A, V = 7410.5（5） A3, Z = 8, Dc= 1.292 g/cm3, p（MoKa） = 0.088 mm-1, F（000） = 3024, the final R = 0.0655 and wR = 0.1566 for 5123 observed reflections with I 〉 2tr（/）. 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（7）, c = 34.2069（14） A, V = 7410.5（5） A3, Z = 8, Dc= 1.292 g/cm3, p（MoKa） = 0.088 mm-1, F（000） = 3024, the final R = 0.0655 and wR = 0.1566 for 5123 observed reflections with I 〉 2tr（/）. 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.

关 键 词：crystal structure diethoxycarbony glycoluril molecular clip binding properties 

分 类 号：O621.2[理学—有机化学]