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4-（4-甲氧基苯基）-1,2,3,3a,4,4a,5,12c-八氢苯并[f]色烯并[3,4-b]吡咯嗪-4a-羧酸甲酯

Methyl 4-(4-methoxy-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

作者信息

Nirmala S, Kamala E Theboral Sugi, Sudha L, Kathiravan S, Raghunathan R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 22;65(Pt 8):o1938. doi: 10.1107/S1600536809027639.

DOI:10.1107/S1600536809027639
PMID:21583620
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977484/
Abstract

In the title compound, C(27)H(27)NO(4), both the pyrrolidine rings in the pyrrolizine ring system adopt envelope conformations, whereas the dihydro-pyran ring adopts a half-chair conformation. The methoxy-phenyl group is oriented at an angle of 53.72 (4)° with respect to the naphthalene ring system. Intra-molecular C-H⋯O hydrogen bonds are observed. The crystal structure is stabilized by weak inter-molecular C-H⋯π inter-actions.

摘要

在标题化合物C(27)H(27)NO(4)中，吡咯嗪环系中的两个吡咯烷环均呈信封式构象，而二氢吡喃环呈半椅式构象。甲氧基苯基相对于萘环系的取向角度为53.72 (4)°。观察到分子内C—H⋯O氢键。晶体结构通过弱的分子间C—H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/50e4/2977484/bf13a0f66b38/e-65-o1938-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/50e4/2977484/bf13a0f66b38/e-65-o1938-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/50e4/2977484/bf13a0f66b38/e-65-o1938-fig1.jpg

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