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呋喃氟脲嘧啶C_8H_9FN_2O_3晶体属三斜晶系,a=6.0044(23),b=9.0221(80),c=16.7021(109),α=99.779(59),β=93.426(43),γ=94.178(55)°。空间群P_1~-,Z=4。用Nicolet R3四圆衍射仪收集强度数据,结构由SHELXTL系统的直接法解出。经最小二乘修正,R=0.078,R_w=0.069。结构测定结果表明,四氢呋喃环具有假旋转角P=218.6°(分子1)和P=177.9°(分子2),两个分子均为S型构造[C(6)endo—C(7)exo]。脲嘧啶基相对于五元环具有正的取向,x=—53.1(分子1)和x=—18.4(分子2)
The crystal of furanfluracil C_8H_9FN_2O_3 is triclinic with a = 6.0044 (23), b = 9.0221 (80), c = 16.7021 (109), α = 99.779 (59), β = 93.426 (43), γ = 94.178 (55) °. Space group P_1 ~ -, Z = 4. Intensity data were collected using a Nicolet R3 four-circle diffractometer and the structure was solved by the direct method of the SHELXTL system. The least squares correction, R = 0.078, R_w = 0.069. The results of the structure determination show that the tetrahydrofuran ring has a pseudo rotation angle of P = 218.6 ° (molecule 1) and P = 177.9 ° (molecule 2), and both molecules are S-type structures [C . The uracil group has a positive orientation relative to the five membered ring, x = -53.1 (numerator 1) and x = -18.4 (numerator 2)