Citation: SONG Jing-Jing, WU Gong-Ying, SUN Wen-Bing, ZHENG Jing, HU Sheng-Li. Crystal Structure and Binding Properties of a New Diethoxycarbonyl Glycoluril Derivative: C₄₆H₃₄Cl₄N₄O₈[J]. Chinese Journal of Structural Chemistry, ;2014, 33(7): 978-984. shu

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

1.
Hubei Collaborative Innovation Center for Rare Metal Chemistry, Department of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi 435002, China

Received Date: 6 December 2013
Available Online: 20 March 2014
Fund Project: The project was supported by the Hubei Province Education Ministry Foundation of China (No. D20112507) (No. D20112507)the Science Technology Foundation for Creative Research Group of HBDE (No. T201311) (No. T201311)

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) Å, α=70.0690(10), β=72.2310(10), γ=78.0880(10)°, V=1993.2(2) Å³, Z=2, D_c=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>2σ(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.
- crystal structure,
- diethoxycarbony glycoluril,
- binding properties
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