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4-[(二乙氧基膦酰基)甲基]苯甲酸

4-[(Dieth-oxy-phosphino-yl)meth-yl]benzoic acid.

作者信息

Karthikeyan S, Sethusankar K, Rajeshwaran Ganesan Gobi, Mohanakrishnan Arasambattu K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o831. doi: 10.1107/S1600536811008282. Epub 2011 Mar 9.

DOI:10.1107/S1600536811008282
PMID:21754115
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3099904/
Abstract

In the title compound, C(12)H(17)N(2)O(5)P, the phospho-nate group is almost orthogonal to both the ethyl groups, with a dihedral angle of 83.75 (11)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of O-H⋯O hydrogen bonds with an R(2) (2)(20) graph-set motif. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

摘要

在标题化合物C₁₂H₁₇N₂O₅P中,膦酸酯基团与两个乙基几乎呈正交,二面角为83.75 (11)°。在晶体中,分子通过O—H⋯O氢键对连接成中心对称二聚体,具有R₂²(20) 图集模式。晶体结构通过弱C—H⋯π相互作用进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d13/3099904/8eb2afadac98/e-67-0o831-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d13/3099904/c641520f58e2/e-67-0o831-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d13/3099904/8eb2afadac98/e-67-0o831-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d13/3099904/c641520f58e2/e-67-0o831-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d13/3099904/8eb2afadac98/e-67-0o831-fig2.jpg

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本文引用的文献

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Diethyl [hydr-oxy(phen-yl)meth-yl]phospho-nate.[羟基(苯基)甲基]膦酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 21;64(Pt 7):o1320. doi: 10.1107/S1600536808018424.
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Diethyl [hydr-oxy(2-nitro-phen-yl)-meth-yl]phospho-nate.[羟基(2-硝基苯基)甲基]膦酸二乙酯
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