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（3aRS，9bSR）-3-（4-氯苯基）-1-甲基-1，2，3，3a，4，9b-六氢色烯并[4，3-b]吡咯-3a-腈

(3aRS,9bSR)-3-(4-Chloro-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-chromeno[4,3-b]pyrrole-3a-carbonitrile.

作者信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o73. doi: 10.1107/S1600536807062113.

DOI:10.1107/S1600536807062113
PMID:21200950
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915030/
Abstract

In the mol-ecule of the title compound, C(19)H(17)ClN(2)O, the heterocyclic six-membered ring adopts a half-chair conformation, while the pyrrolidine ring has an envelope conformation. In the crystal structure, C-Cl⋯π [Cl⋯centroid = 3.680 (2) Å] inter-actions and van der Waals forces are present.

摘要

在标题化合物C(19)H(17)ClN(2)O的分子中，杂环六元环呈半椅式构象，而吡咯烷环呈信封式构象。在晶体结构中，存在C-Cl⋯π[Cl⋯质心 = 3.680 (2) Å]相互作用和范德华力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e023/2915030/d8d792d86c43/e-64-00o73-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e023/2915030/6ea9f8d692a5/e-64-00o73-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e023/2915030/d8d792d86c43/e-64-00o73-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e023/2915030/6ea9f8d692a5/e-64-00o73-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e023/2915030/d8d792d86c43/e-64-00o73-fig2.jpg

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