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[1-(4-溴苯基)-1-羟基-3-氧代丁基](苯基)次膦酸乙酯一水合物

Ethyl [1-(4-bromo-phen-yl)-1-hydr-oxy-3-oxobut-yl](phen-yl)phosphinate monohydrate.

作者信息

Samanta Sampak, Perera Sandun, Broker Grant A, Zhao Cong-Gui, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 10;66(Pt 3):o569. doi: 10.1107/S160053681000437X.

DOI:10.1107/S160053681000437X
PMID:21580337
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983684/
Abstract

In the title hydrate, C(18)H(20)BrO(4)P·H(2)O, a staggered conformation is found when the organic mol-ecule is viewed down the central P-C bond, with the oxo and hydroxyl groups being diagonally opposite; each of the central P and C atoms has an S-configuration. The crystal structure features supra-molecular double chains along the b axis mediated by O(hydrox-yl)-H⋯O(oxo), O(water)-H⋯O(oxo), and O(water)-H⋯O(water) hydrogen bonds.

摘要

在标题水合物C(18)H(20)BrO(4)P·H(2)O中,从中心P-C键方向观察有机分子时发现其呈交错构象,羰基和羟基对角相对;中心P和C原子均具有S构型。晶体结构的特征是沿b轴形成超分子双链,由O(羟基)-H⋯O(羰基)、O(水)-H⋯O(羰基)和O(水)-H⋯O(水)氢键介导。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/54f617d0b2ba/e-66-0o569-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/8709c0b0ff04/e-66-0o569-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/cd8adee7e5a6/e-66-0o569-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/54f617d0b2ba/e-66-0o569-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/8709c0b0ff04/e-66-0o569-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/cd8adee7e5a6/e-66-0o569-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/18b1/2983684/54f617d0b2ba/e-66-0o569-fig3.jpg

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本文引用的文献

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Organocatalytic enantioselective synthesis of both diastereomers of alpha-hydroxyphosphinates.有机催化对映选择性合成α-羟基膦酸盐的两种非对映异构体。
J Org Chem. 2010 Feb 19;75(4):1101-6. doi: 10.1021/jo9022099.
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A short history of SHELX.SHELX简史。
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