CRYSTAL STRUCTURE OF N'- (2-TETRAHYDROF URANYL)- 5-FLUOROURACIL

• 作 者: 郭东耀 吕品喆 申成 王凤山 刘永盛
• 机 构: Changchun Institute of Applied Chemistry, Academia Sinica,Changchun Institute of Applied Chemistry,
• 出 处: Science in China,Ser.B
• 发表日期: 1983年10期
• 关键词: diffractometer refined triclinic membered uracil circle hasbeen hydrolyzed Jinan

N’-(2tetrahydrofuranyl)-5-fluorourancil, C_8H_9FN_2O_3,, crystals are triclinic system, a=6.004(2),b=9.022(8),c=16.702(11),α = 99.78(6),β=93.48(3),γ=94.18(6)°. Space group P,Z=4. The diffraction data (Mo K radiation) were collected with Nicolet R3 four-circle diffractometer. The structure was determined by SHELXTL direct methods and refined by least-squares program, R=0.078, Rw=0.069.The structure determination results show that the phase angles of pseudorotation in tetrahydrofuran ring are P=218.6°(mol. 1) and P=177.9°(mol. 2) respectively. Both molecules 1 and 2 arc of the type S[C(6)endo-C(7) exo]. The orientation of the uracil with respect to five-membered ring is positive, x=-53.1 (mol. 1) and x=-18.4(mol. 2).

A = 6.004 (2), b = 9.022 (8), c = 16.702 (11), α = 99.78 (6), β = 93.48 (3), γ = 94.18 (6) °. Space group P, Z = 4. The diffraction data (Mo K radiation) were collected with Nicolet R3 four-circle diffractometer. The structure was determined by SHELXTL direct methods and refined by least -squares program, R = 0.078, Rw = 0.069. The structure determination results show that the phase angles of pseudorotation in tetrahydrofuran ring are P = 218.6 ° (mol. 1) and P = 177.9 ° (mol. 2) respectively. Both molecules 1 and 2 arc of the type S [C (6) endo-C (7) exo]. The orientation of the uracil with respect to five- membered ring is positive, x = -53.1 (mol.1) and x = - 18.4 (mol. 2).