Toze Flavien A A, Nikitina Eugeniya V, Zaytsev Vladimir P, Zubkov Fedor I, Khrustalev Victor N
Department of Chemistry, University of Douala, Faculty of Sciences, PO Box 24157, Douala, Republic of , Cameroon.
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 18;69(Pt 10):o1555. doi: 10.1107/S1600536813025129. eCollection 2013.
The title molecule, C20H23NO7, the product of nucleophilic cleavage of the 3a,6-ep-oxy bridge in 1-oxo-2-phenyl-octa-hydro-3a,6-ep-oxy-iso-indole-7-carboxyl-ate, comprises a cis-fused bicyclic system containing a 2-pyrrolidinone ring in an envelope conformation (with the C atom bearing the carboxyl-ate substituent as the flap) and a cyclo-hexane ring in a chair conformation. The carboxyl-ate substituent occupies the equatorial position, whereas the two acet-yloxy substituents are in axial positions. The N atom has a trigonal-planar geometry, the sum of the bond angles being 359.3 (3)°. The dihedral angle between the mean plane of the four planar atoms of the pyrrolidinone ring and the phenyl ring is 25.98 (6)°. In the crystal, mol-ecules are linked into zigzag chains along the c-axis direction by C-H⋯O hydrogen bonds.
标题分子C20H23NO7是1-氧代-2-苯基-八氢-3a,6-环氧异吲哚-7-羧酸酯中3a,6-环氧桥亲核裂解的产物，它包含一个顺式稠合的双环体系，其中一个2-吡咯烷酮环呈信封构象（以带有羧酸酯取代基的C原子为折边），一个环己烷环呈椅式构象。羧酸酯取代基占据赤道位置，而两个乙酰氧基取代基处于轴向位置。N原子具有三角平面几何构型，键角总和为359.3 (3)°。吡咯烷酮环的四个平面原子的平均平面与苯环之间的二面角为25.98 (6)°。在晶体中，分子通过C—H⋯O氢键沿c轴方向连接成锯齿链。
