Wang Kai, Zhang Ye, Yi Xiang-Hui, Zhang Yong, Pan Ying-Ming
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 25;66(Pt 10):o2604. doi: 10.1107/S1600536810032824.
In the title compound, C(21)H(28)N(2)O(5) (systematic name: methyl 1,4a-dimethyl-7-nitro-9-oxo-6-propyl-amino-1,2,3,4,4a,9,10,10a-octa-hydro-phenanthrene-1-carboxyl-ate) the cyclo-hexane ring (A) and the central cyclo-hexene ring (B) exist at a trans ring junction, with the two methyl groups in the axial positions of the six-membered rings. Ring A has a chair conformation and ring B a half-chair conformation. An intra-molecular N-H⋯O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular C-H⋯O and N-H⋯O inter-actions.
在标题化合物C₂₁H₂₈N₂O₅（系统名称：1,4a - 二甲基 - 7 - 硝基 - 9 - 氧代 - 6 - 丙基氨基 - 1,2,3,4,4a,9,10,10a - 八氢菲 - 1 - 羧酸甲酯）中，环己烷环（A）和中心环己烯环（B）以反式环连接存在，两个甲基处于六元环的轴向位置。环A具有椅式构象，环B具有半椅式构象。存在分子内N - H⋯O氢键。晶体结构通过分子间C - H⋯O和N - H⋯O相互作用得以稳定。
