Crystal Structure and Binding Properties of a New Diethoxycarbonyl Glycoluril Derivative:C_(46)H_(34)Cl_4N_4O_8  

作　　者：宋静静 吴共应 孙文兵 郑静 胡胜利 

机构地区：[1]Hubei Collaborative Innovation Center for Rare Metal Chemistry,Department of Chemistry and Chemical Engineering,Hubei Normal University

出　　处：《Chinese Journal of Structural Chemistry》2014年第7期978-984,共7页结构化学（英文）

基　　金：supported by the Hubei Province Education Ministry Foundation of China(No.D20112507);the Science Technology Foundation for Creative Research Group of HBDE(No.T201311)

摘　　要：A new clip molecule 1 based on diethoxycarbonyl glycoluril, C46H34ChN4O8, 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, a = 70.0690（10）, β= 72.2310（10）, y = 78.0880（10）°, V= 1993.2（2） A3, Z = 2, Dc = 1.521 g/cm3, μ（MoKa） = 0.361 mml, F（000） = 940, the final R = 0.0422 and wR = 0.1144 for 22997 observed reflections with 1 〉 2o（I）. The crystal structural analysis shows that C-H……O and C-H……Cl hydrogen bonds, C-H-……π, C-CI……π supramolecular interactions, andπ-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.A new clip molecule 1 based on diethoxycarbonyl glycoluril, C46H34ChN4O8, 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, a = 70.0690（10）, β= 72.2310（10）, y = 78.0880（10）°, V= 1993.2（2） A3, Z = 2, Dc = 1.521 g/cm3, μ（MoKa） = 0.361 mml, F（000） = 940, the final R = 0.0422 and wR = 0.1144 for 22997 observed reflections with 1 〉 2o（I）. The crystal structural analysis shows that C-H……O and C-H……Cl hydrogen bonds, C-H-……π, C-CI……π supramolecular interactions, andπ-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.

关 键 词：crystal structure diethoxycarbony glycoluril binding properties 

分 类 号：O641[理学—物理化学]