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4'-异丁基-2,2'-二甲基-1,3-二氧代-2,3-二氢-1H,4'H-螺[异喹啉-4,5'-恶唑]-4'-羧酸甲酯

Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Xu Kai, Zhang Yan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1519-20. doi: 10.1107/S1600536811019003. Epub 2011 May 25.

DOI:10.1107/S1600536811019003
PMID:21754883
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120529/
Abstract

In the isoquinoline ring system of the title mol-ecule, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.042 (1) Å] and forms a dihedral angle of 81.85 (4)° with the benzene ring. In the crystal, the mol-ecules are linked via inter-molecular C-H⋯O hydrogen bonds into chains along [010].

摘要

在标题分子C(19)H(22)N(2)O(5)的异喹啉环系中，N-杂环呈半船式构象。二氧杂-2-氮杂螺环基本呈平面状[最大偏差 = 0.042 (1) Å]，与苯环形成的二面角为81.85 (4)°。在晶体中，分子通过分子间C-H⋯O氢键沿[010]方向连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56bc/3120529/041d0e591456/e-67-o1519-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56bc/3120529/a7fadabc5204/e-67-o1519-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56bc/3120529/041d0e591456/e-67-o1519-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56bc/3120529/a7fadabc5204/e-67-o1519-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/56bc/3120529/041d0e591456/e-67-o1519-fig2.jpg

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本文引用的文献

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