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3-（4-甲氧基苯基）-5-甲基异恶唑-4-羧酸

3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.

作者信息

Raghu K, Srikantamurthy N, Umesha K B, Palani K, Mahendra M

机构信息

Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o388. doi: 10.1107/S1600536813004029. Epub 2013 Feb 16.

DOI:10.1107/S1600536813004029
PMID:23476573
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588455/
Abstract

In the title compound, C12H11NO4, the dihedral angle between the benzene and isoxazole rings is 42.52 (8)°. The carb-oxy-lic acid group is close to being coplanar with the isoxazole ring [dihedral angle = 5.3 (2)°]. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R2(2)(8) loops.

摘要

在标题化合物C₁₂H₁₁NO₄中，苯环和异恶唑环之间的二面角为42.52 (8)°。羧酸基团几乎与异恶唑环共面[二面角 = 5.3 (2)°]。在晶体中，通过O—H⋯O氢键对连接的反演二聚体形成R₂²(8)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/87a9/3588455/067b3c60afc8/e-69-0o388-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/87a9/3588455/98b2177fc89f/e-69-0o388-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/87a9/3588455/067b3c60afc8/e-69-0o388-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/87a9/3588455/98b2177fc89f/e-69-0o388-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/87a9/3588455/067b3c60afc8/e-69-0o388-fig2.jpg

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