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CRYSTAL STRUCTURE OF N'- (2-TETRAHYDROF URANYL)- 5-FLUOROURACIL
作者姓名:郭东耀  吕品喆  申成  王凤山  刘永盛
作者单位:Changchun Institute of Applied Chemistry,Academia Sinica,Changchun Institute of Applied Chemistry,Academia Sinica,Changchun Institute of Applied Chemistry,Academia Sinica,Changchun Institute of Applied Chemistry,Academia Sinica,Changchun Institute of Applied Chemistry,Academia Sinica
摘    要: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 SC(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).

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