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A series of novel 5-fluorouracil derivatives were designed and synthesized, and the compound N1-(2-(4-Methoxy-2-nitrophenoxy)-2-dimethyl acyloxymethyl)-5-fluorouracil(C_(16)H_(16)FN_3O_8, Mr = 397.32) was structurally characterized by 1H-NMR, 13C-NMR, ESI-MS and single-crystal X-ray diffraction. The compound crystallizes in triclinic, space group P1 with a = 5.6725(7), b = 8.7443(19), c = 18.116(3) ?, α = 98.226(17), β = 96.247(12), γ = 94.318(14)°, V = 880.3(3) ?~3, Z = 2, T = 294.12(10) K, μ(Mo Kα) = 0.128 mm~(-1), Dc = 1.499 g/cm3, F(000) = 412 and GOOF = 1.105. 5175 reflections were measured(6.868≤2θ≤52.042°), and 3416 were unique(Rint = 0.0272, Rsigma = 0.0579) and used in all calculations. The final R = 0.0551(I > 2σ(I)) and w R = 0.1288(all data). The structure of the crystal was stabilized by hydrogen bonds and the antitumor activity of the compound was analyzed by MTT assay.
A series of novel 5-fluorouracil derivatives were designed and synthesized, and the compound N1- (2- (4-Methoxy- 2-nitrophenoxy) -2-dimethyl acyloxymethyl) -5-fluorouracil (C 16 H 16 FN 3 O 8 , Mr = 397.32) was structurally characterized by 1H-NMR, 13C-NMR, ESI-MS and single-crystal X-ray diffraction. The compound crystallizes in triclinic space group P1 with a = 5.6725 (7), b = 8.7443 (3)? 3, Z = 2, T = 294.12 (3)? = 98.226 (17),? = 96.247 (12),? = 94.318 (10) K, μ (Mo Kα) = 0.128 mm -1, Dc = 1.499 g / cm 3, F 000 = 412 and GOOF = 1.105. The final R = 0.0551 (I> 2σ (I)) and w R = 0.1288 (all data). The structure of the crystal was stabilized by (Rint = 0.0272, Rsigma = 0.0579) and used in all calculations hydrogen bonds and the antitumor activity of the compound was analyzed by MTT assay.