Syntheses and Crystal Structure of a New Molecular Clip Based on Diethoxycarbonyl Glycoluril: C_(54)

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A new glycoluril derivative 2 has been synthesized and characterized by singlecrystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 13.128(7), b = 13.245(7), c = 14.016(8) ?, α = 98.805(10), β = 102.036(9), γ = 101.470(10)°, V = 2287(2) ?3, Z = 2, C54H38N8O6·H2O, Mr = 912.94, F(000) = 952, T = 298(2) K, Dc = 1.326 g/cm3 and μ = 0.090 mm-1. Due to the intermolecular C–H...O interactions, two monomeric molecular clips dimerize as a dimeric building block in the crystalline state. Those building blocks form tape-like supramolecular polymers driven by intermolecular C–H...N interactions and water molecules which stabilized in the packing structure served as hydrogen-bonding donors. A new glycoluril derivative 2 has been synthesized and characterized by singlecrystal X-ray diffraction. It crystallizes in triclinic space group P1 with a = 13.128 (7), b = 13.245 (7), c = 14.016 (8) 98.805 (10), β = 102.036 (9), γ = 101.470 (10) °, V = 2287 (2)? 3, Z = 2, C54H38N8O6H2O, Mr = 912.94, F (000) = 952, T = 298 (2) K, Dc = 1.326 g / cm3 and μ = 0.090 mm-1. Due to the intermolecular C-H ... O interactions, two monomeric molecular clips dimerize as a dimeric building block in the crystalline state. Those building blocks form tape-like supramolecular polymers driven by intermolecular C-H ... N interactions and water molecules which stabilized in the packing structure served as hydrogen-bonding donors.
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