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.
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) Å, α=70.0690(10), β=72.2310(10), γ=78.0880(10)°, V=1993.2(2) Å3, 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>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.
English
Crystal Structure and Binding Properties of a New Diethoxycarbonyl Glycoluril Derivative: C46H34Cl4N4O8
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) Å, α=70.0690(10), β=72.2310(10), γ=78.0880(10)°, V=1993.2(2) Å3, 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>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.
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Key words:
- crystal structure
- / diethoxycarbony glycoluril
- / binding properties
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