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（1S*，4'S*，5R*）-1-异丁基-5-甲氧基-2'，3-二甲基-4,6-二氧杂-2-氮杂-螺[双环-[3.2.0]庚-2-烯-7,4'-异喹啉]-1'，3'（2'H，4'H）-二酮

(1S*,4'S*,5R*)-1-Isobutyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Huang Chengmei, Yu Haitao

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1273-4. doi: 10.1107/S1600536811015327. Epub 2011 Apr 29.

DOI:10.1107/S1600536811015327
PMID:21754557
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089195/
Abstract

In the isoquinoline ring system of the title compound, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-chair conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation of 0.025 (1) Å] and forms a dihedral angle of 23.51 (5)° with the benzene ring. In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds into chains along [010].

摘要

在标题化合物C(19)H(22)N(2)O(5)的异喹啉环系统中，N-杂环呈半椅式构象。二氧杂-2-氮杂螺环基本呈平面状[最大偏差为0.025 (1) Å]，并与苯环形成23.51 (5)°的二面角。在晶体中，分子通过弱分子间C-H⋯O和C-H⋯N氢键沿[010]方向连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3a09/3089195/59ef2816d28e/e-67-o1273-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3a09/3089195/3d7b225a8f6a/e-67-o1273-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3a09/3089195/59ef2816d28e/e-67-o1273-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3a09/3089195/3d7b225a8f6a/e-67-o1273-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3a09/3089195/59ef2816d28e/e-67-o1273-fig2.jpg

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