Botta M, Fabrizi G, Lamba D, Saladino R
Dipartimento Farmaco-Chimico-Tecnologico, Università di Siena, Italy.
Acta Crystallogr C. 1992 Jan 15;48 ( Pt 1):81-3. doi: 10.1107/s0108270191006133.
C8H10N2O3, Mr = 182.18, monoclinic, P2(1), a = 6.6405 (7), b = 7.9493 (9), c = 8.3662 (9) A, beta = 103.07 (1) degrees, V = 430.18 (8) A3, Z = 2, Dx = 1.41 Mg m-3, lambda (Cu K alpha) = 1.54184 A, mu = 0.879 mm-1, F(000) = 192, T = 298 K, R = 0.037 for 1247 reflections with Fo greater than or equal to 4 sigma (Fo). The configuration at C7 is S. The pyrimidine-2,4-dione ring is nearly planar [r.m.s. deviation: 0.010 (8) A] and is antiperiplanar with respect to the epoxide ring. This arrangement is stabilized by intermolecular C-H ... O interactions.
C8H10N2O3，Mr = 182.18，单斜晶系，P2(1)，a = 6.6405(7)，b = 7.9493(9)，c = 8.3662(9) Å，β = 103.07(1)°，V = 430.18(8) Å3，Z = 2，Dx = 1.41 Mg m-3，λ(Cu Kα) = 1.54184 Å，μ = 0.879 mm-1，F(000) = 192，T = 298 K，对于1247个Fo大于或等于4σ(Fo)的反射，R = 0.037。C7处的构型为S型。嘧啶-2,4-二酮环近乎平面[r.m.s.偏差：0.010(8) Å]，且相对于环氧环呈反式共平面。这种排列通过分子间C-H...O相互作用得以稳定。
