Meng Liping, Fettinger James C, Kurth Mark J
Department of Chemistry, University of California, One Shields Avenue, Davis, CA 95616, USA.
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1214. doi: 10.1107/S1600536811014292. Epub 2011 Apr 29.
The title mol-ecule, C(22)H(23)N(3)O(2), was obtained via an intra-molecular cyclo-addition of an azomethine ylide and an alkene tethered by a benzimidazole unit. The benzoimidazole unit is essentially planar, with an r.m.s. deviation of 0.0087 Å from the nine constituent atoms. It has a cis fusion of the two pyrrolidine rings as well as a cis ester appendage. The two pyrrolidine rings rings have envelope conformations. The crystal packing is stabilized by aromatic π-π stacking of parallel benzimidazole ring systems, with a centroid-to-centroid distance of 3.518 (6) Å. Weak inter-molecular C-H⋯O contacts may also play a role in the stability of the packing.
标题分子C(22)H(23)N(3)O(2)是通过苯并咪唑单元连接的甲亚胺叶立德和烯烃的分子内环加成反应得到的。苯并咪唑单元基本呈平面状,九个组成原子的均方根偏差为0.0087 Å。它具有两个吡咯烷环的顺式稠合以及一个顺式酯侧链。两个吡咯烷环具有信封式构象。晶体堆积通过平行苯并咪唑环系统的芳香π-π堆积得以稳定,质心到质心的距离为3.518(6) Å。弱分子间C-H⋯O接触也可能对堆积的稳定性起作用。