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5-甲基-3-[11-(吡啶-2-基)-6,11-二氢-6,11-环氧二苯并[，]氧杂环庚三烯-6-基]异恶唑-4-羧酸乙酯：一种由蒽基异恶唑重排得到的双环缩醛。

Ethyl 5-methyl-3-[11-(pyridin-2-yl)-6,11-di-hydro-6,11-ep-oxy-dibenzo[,]oxepin-6-yl]isoxazole-4-carboxylate: a bicyclic acetal from the rearrangement of an anthracenyl isoxazole.

作者信息

Weaver Matthew J, Campbell Michael J, Li Chun, Natale Nicholas R

机构信息

Department of Biomedical & Pharmaceutical Sciences, University of Montana, Missoula, MT 59812, USA.

Department of Chemistry, Ithaca College, 953 Danby Road, Ithaca, NY 14850, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Nov 6;76(Pt 12):1818-1822. doi: 10.1107/S2056989020014358. eCollection 2020 Dec 1.

DOI:10.1107/S2056989020014358
PMID:33520260
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7784648/
Abstract

The title compound, CHNO, is a rearrangement product of an -pyridinyl anthracenyl isoxazole ester. It features a bicyclic acetal structure, which has two extended almost co-planar ring systems, which subtend a fold angle of 102.17 (5)°. In the crystal, the mol-ecules are closely knitted together through C-H⋯N and C-H⋯O hydrogen bonds and form chains of alternating enanti-omers propagating along the axis direction.

摘要

标题化合物CHNO是一种α-吡啶基蒽基异恶唑酯的重排产物。它具有双环缩醛结构，有两个几乎共平面的扩展环系统，其张角为102.17 (5)°。在晶体中，分子通过C-H⋯N和C-H⋯O氢键紧密地编织在一起，形成沿轴方向传播的交替对映体链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/7801dc651ed4/e-76-01818-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/5bfed3c476d0/e-76-01818-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/a57ec33f3dc9/e-76-01818-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/223ea15998d7/e-76-01818-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/caf2a4a8eeeb/e-76-01818-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/d0a0f25b8a5a/e-76-01818-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/7801dc651ed4/e-76-01818-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/5bfed3c476d0/e-76-01818-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/a57ec33f3dc9/e-76-01818-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/223ea15998d7/e-76-01818-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/caf2a4a8eeeb/e-76-01818-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/d0a0f25b8a5a/e-76-01818-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae9c/7784648/7801dc651ed4/e-76-01818-fig6.jpg

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