Wuqiang Liu, X. Feng, Yangyang Tao
Nov 7, 2014
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Journal
Journal of Chemical Crystallography
Abstract
Three uracil derivatives of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (I), methyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (II) and ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (III) have been prepared through one pot synthesis and examined by X-ray crystallography, FT-IR and NMR spectroscopy. Compound I, C8H10N2O4, is monoclinic with space group P 21/c and cell constants a = 11.4437(12), b = 11.7980(13), c = 6.9496(7) Å, β = 103.180(2)°, V = 913.57(17) Å3, and Z = 4. Compound II, C8H9N3O6, crystallizes in the monoclinic P 21 space group with cell constants a = 8.0342(14), b = 5.7155(10), c = 11.572(2) Å, β = 105.200(3)°, V = 512.79(16) Å3, and Z = 2. Compound III, C9H11N3O6, is Orthorhombic with space group P 212121 and cell constants a = 5.7560(16), b = 8.032(2), c = 25.302(7) Å, β = 90°, V = 1169.8(6) Å3, and Z = 4. The supramolecular architectures of the three compounds involve N–H···O hydrogen bond.Graphical AbstractThe supramolecular architectures of the three compounds involve N–H···O hydrogen bond.Depiction of packing and showing the N–H···O hydrogen bond in methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoateDepiction of packing and showing the N–H···O hydrogen bond in methyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoateDepiction of packing and showing the N–H···O hydrogen bond in ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate.