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5,8-二甲氧基-3,9-二甲基-3a,4,9,9a-四氢-4,9-环氧萘并-[2,3-d]异恶唑

5,8-Dimeth-oxy-3,9-dimethyl-3a,4,9,9a-tetra-hydro-4,9-ep-oxy-naphtho-[2,3-d]isoxazole.

作者信息

Lough Alan J, Nagireddy Jaipal R, Tam William

机构信息

Department of Chemistry, University of Toronto, Toronto, Ontario, M5S 3H6, Canada.

Department of Chemistry, University of Guelph, Guelph, Ontario, N1G 2W1, Canada.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Apr 12;70(Pt 5):o544. doi: 10.1107/S1600536814007752. eCollection 2014 May 1.

DOI:10.1107/S1600536814007752
PMID:24860352
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4011229/
Abstract

The title compound, C15H17NO4, is the exo isomer with a syn arrangement of the O atom in the isoxazole ring to the methyl group of the bicyclic alkene. The dihedral angle between the isoxazole ring and the benzene ring is 7.42 (9)°. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules, forming a three-dimensional network. The isoxazole O atom is an acceptor for both weak hydrogen bonds.

摘要

标题化合物C₁₅H₁₇NO₄为外型异构体,异恶唑环中的O原子与双环烯烃的甲基呈顺式排列。异恶唑环与苯环之间的二面角为7.42 (9)°。在晶体中,弱C—H⋯O氢键连接分子,形成三维网络。异恶唑O原子是两种弱氢键的受体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/3a7a3967882f/e-70-0o544-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/953ce8fa2a1c/e-70-0o544-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/8c8d7d1c94e4/e-70-0o544-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/3a7a3967882f/e-70-0o544-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/953ce8fa2a1c/e-70-0o544-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/8c8d7d1c94e4/e-70-0o544-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61cc/4011229/3a7a3967882f/e-70-0o544-fig3.jpg

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