Synthesis and Crystal Structure of Tetraaquacopper(II) Bis(5-fluorouracil-1-acetate) Tetrahydrate

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The title compound, [Cu(C6H4N2O4F)2(H2O)4]·4(H2O) I, has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 8.3041(17), b = 12.045(2), c = 11.077(2) , β = 92.567(3)o, V = 1106.8(4) 3, Mr = 581.89, Z = 2, Dc = 1.746 g/cm3, F(000) = 598, μ(MoKα) = 1.090 mm–1, the final R = 0.0296 and wR = 0.0806 for 3195 observed reflections with I > 2σ(I). In the centrosymme- tric compound I, each Cu(II) ion is coordinated by six O atoms from two 5-fluorouracil-1-acetate anions and four water molecules, forming a six-coordinated octahedral environment. NHO and OHO hydrogen-bonding interactions are observed in the structure, leading to the formation of a three-dimensional network. The title compound, [Cu (C6H4N2O4F) 2 (H2O) 4] .4 (H2O) I, has been hydrothermally synthesized synthetically determined by single-crystal X- ray diffraction method. It crystallizes in monoclinic, space group P21 / c with a = 8.3041 (17), b = 12.045 (2), c = 11.077 (2), β = 92.567 (3) o, V = 1106.8 (4) 3, Mr = 581.89, Z = 2, Dc = 1.746 g / cm3, F (000) = 598, μ (MoKα) = 1.090 mm-1, the final R = 0.0296 and wR = 0.0806 for 3195 observed reflections with I> 2σ (I). In the centrosymmetric tricomponent I, each Cu (II) ion is coordinated by six O atoms from two 5-fluorouracil-1-acetate anions and four water molecules, forming a six-coordinated octahedral environment. NHO and OHO hydrogen-bonding interactions are observed in the structure, leading to the formation of a three-dimensional network.
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