Hieu Truong Hong, Anh Le Tuan, Soldatenkov Anatoly T, Kolyadina Nadezhda M, Khrustalev Victor N
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2431-2. doi: 10.1107/S1600536812030644. Epub 2012 Jul 10.
The title compound, C(31)H(34)N(2)O(9), is a product of the Michael addition of the cyclic secondary amine subunit of the (bis-pidino)aza-14-crown-4 ether to dimethyl acetyl-ene-dicarboxyl-ate. The mol-ecule comprises a tricyclic system containing the aza-14-crown-3 ether macrocycle and two six-membered piperidinone rings. The aza-14-crown-3-ether ring adopts a bowl conformation with a dihedral angle between the planes of the fused benzene rings of 51.14 (5)°. The central piperidone ring has a boat conformation, whereas the terminal piperidone ring adopts a chair conformation. The dimethyl ethyl-enedicarboxyl-ate fragment has a cis configuration with a dihedral angle of 56.56 (7)° between the two carboxyl-ate groups. The crystal packing is stabilized by weak C-H⋯O hydrogen bonds.
标题化合物C(31)H(34)N(2)O(9)是双哌啶氮杂-14-冠-4醚的环状仲胺亚基与乙炔二甲酸二甲酯进行迈克尔加成反应的产物。该分子包含一个三环体系，其中含有氮杂-14-冠-3醚大环和两个六元哌啶酮环。氮杂-14-冠-3-醚环呈碗状构象，稠合苯环平面之间的二面角为51.14 (5)°。中心哌啶酮环呈船式构象，而末端哌啶酮环呈椅式构象。乙炔二甲酸二甲酯片段呈顺式构型，两个羧酸酯基团之间的二面角为56.56 (7)°。晶体堆积通过弱C-H⋯O氢键得以稳定。
