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

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 P (1) over bar with a = 11.3674(8), b = 11.3674(8), c = 16.9704(12) angstrom, alpha = 70.0690(10), beta = 72.2310(10), gamma = 78.0880(10)degrees, V = 1993.2(2) angstrom(3), Z = 2, D-c = 1.521 g/cm(3), mu(MoK alpha) = 0.361 mm(-1), F(000) = 940, the final R = 0.0422 and wR = 0.1144 for 22997 observed reflections with I > 2 sigma(I). The crystal structural analysis shows that C-H center dot center dot center dot O and C-H center dot center dot center dot Cl hydrogen bonds, C-H center dot center dot center dot pi, C-Cl center dot center dot center dot pi supramolecular interactions, and pi-pi 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.