Ammon H L, Paquette L A
Department of Chemistry and Biochemistry, University of Maryland, College Park 20742.
Acta Crystallogr C. 1991 Oct 15;47 ( Pt 10):2156-9. doi: 10.1107/s0108270191003980.
Decahydro-1,6:3,4-dimethano-3a-nitrocyclobuta [1,2:3,4]dicyclopentene-2,5-dione (II), C12-H11NO4, Mr = 233.2, monoclinic, P2(1)/n, a = 13.378 (7), b = 6.614 (1), c = 23.040 (15) A, beta = 92.53 (5) degrees, V = 2036.6 (4) A3, Z = 8, D chi = 1.521 g cm-3, Cu K alpha, lambda = 1.54178 A, mu = 9.3 cm-1, F(000) = 1312, T = 293 K, final R = 0.047, wR = 0.075 for 3075 reflections with I greater than 3 sigma(I). There are no unusually short intermolecular distances. A comparison of the molecular densities and packing coefficients of (I) [4]peristylane-1,5-dione with (II), indicates that the change in crystal density from (I) (1.415 g cm-3) to (II) (1.521 g cm-3) is the sole result of an increase in molecular density with NO2 substitution. The packing coefficients for (I) and (II) are identical.
十氢-1,6:3,4-二亚甲基-3a-硝基环丁烷并[1,2:3,4]二环戊烯-2,5-二酮（II），C₁₂H₁₁NO₄，Mr = 233.2，单斜晶系，P2(1)/n，a = 13.378(7)，b = 6.614(1)，c = 23.040(15) Å，β = 92.53(5)°，V = 2036.6(4) ų，Z = 8，Dχ = 1.521 g cm⁻³，Cu Kα，λ = 1.54178 Å，μ = 9.3 cm⁻¹，F(000) = 1312，T = 293 K，对于3075个I大于3σ(I)的反射，最终R = 0.047，wR = 0.075。不存在异常短的分子间距离。将（I）[4]紫苏烷-1,5-二酮与（II）的分子密度和堆积系数进行比较，表明晶体密度从（I）（1.415 g cm⁻³）变为（II）（1.521 g cm⁻³）仅是NO₂取代导致分子密度增加的结果。（I）和（II）的堆积系数相同。
