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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.

DOI:10.1107/S1600536813010489
PMID:23723920
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648300/
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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd28/3648300/2e00e4248f67/e-69-0o776-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd28/3648300/3bdd29bd2677/e-69-0o776-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd28/3648300/2e00e4248f67/e-69-0o776-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd28/3648300/3bdd29bd2677/e-69-0o776-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd28/3648300/2e00e4248f67/e-69-0o776-fig2.jpg

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