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(E)-4-Meth-oxy-2-(p-tolyl-imino-meth-yl)phenol.

作者信息

Koşar Başak, Ozek Arzu, Albayrak Ciğdem, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o469. doi: 10.1107/S1600536810003028.

DOI:10.1107/S1600536810003028
PMID:21579880
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979976/
Abstract

The mol-ecule of the title compound, C(15)H(15)NO(2), adopts the enol-imine tautomeric form and has a strong intra-molecular O-H⋯N hydrogen bond as a result. The mol-ecule is almost planar, with a maximum deviation of 0.1038 (15) Å for the meth-oxy C atom. A weak C-H⋯π inter-action and a weak C-H⋯O hydrogen bond are present in the crystal.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/2dbbfc02f7f0/e-66-0o469-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/cbdb3c2c23a4/e-66-0o469-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/746f74e022c7/e-66-0o469-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/2dbbfc02f7f0/e-66-0o469-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/cbdb3c2c23a4/e-66-0o469-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/746f74e022c7/e-66-0o469-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3927/2979976/2dbbfc02f7f0/e-66-0o469-fig3.jpg

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本文引用的文献

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(E)-2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol and (E)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures.（E）-2-[(4-氯苯基)亚氨基甲基]-5-甲氧基苯酚和（E）-2-[(2-氯苯基)亚氨基甲基]-5-甲氧基苯酚：X射线和密度泛函理论计算结构
Acta Crystallogr C. 2009 Oct;65(Pt 10):o517-20. doi: 10.1107/S0108270109034350. Epub 2009 Sep 19.
2
Density functional computational studies on (E)-2-[(2-Hydroxy-5-nitrophenyl)-iminiomethyl]-4-nitrophenolate.(E)-2-[(2-羟基-5-硝基苯基)亚氨基甲基]-4-硝基苯氧酸盐的密度泛函计算研究。
J Mol Model. 2010 Feb;16(2):235-41. doi: 10.1007/s00894-009-0539-5. Epub 2009 Jul 3.
3
A short history of SHELX.
SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.