9-(4-甲氧基苯基)-19-甲基-3,12-二氮杂五环-[10.7.0.0(2,10).0(3,8).0(13,18)]十九碳-1(19),13(18),14,16-四烯-10-羧酸甲酯
Methyl 9-(4-meth-oxy-phen-yl)-19-methyl-3,12-di-aza-penta-cyclo-[10.7.0.0(2,10).0(3,8).0(13,18)]nona-deca-1(19),13(18),14,16-tetra-ene-10-carboxyl-ate.
作者信息
Selvanayagam S, Sridhar B, Kathiravan S, Raghunathan R
机构信息
Department of Physics, Kalasalingam University, Krishnankoil 626 126, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o776. doi: 10.1107/S1600536813010489. Print 2013 May 1.
Abstract
The title ester, C27H30N2O3, crystallizes with two independent mol-ecules in the asymmetric unit whose geometrical features are similar. In each mol-ecule, the pyrrolidine ring adopts an envelope conformation, with the fused C atom shared with the piperidine ring as the flap, and the piperidine ring adopts a chair conformation. In the crystal, C-H⋯π inter-actions link the inversion-related molecules and form a dimeric arrangement in the unit cell.
摘要
标题酯C27H30N2O3在不对称单元中与两个独立分子结晶，其几何特征相似。在每个分子中，吡咯烷环呈信封构象，与哌啶环共用的稠合C原子作为瓣，哌啶环呈椅式构象。在晶体中，C-H⋯π相互作用连接反转相关分子并在晶胞中形成二聚体排列。
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本文引用的文献
1
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
3
Qmol: a program for molecular visualization on Windows-based PCs.Qmol：一款用于在基于Windows的个人电脑上进行分子可视化的程序。
J Mol Graph Model. 2001;19(6):557-9, 609. doi: 10.1016/s1093-3263(01)00090-0.
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