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一水合氯化(正丁基)[2-(2,6-二甲氧基苯基)-6-甲基苯基](2-甲氧基苯基)鏻的晶体结构

Crystal structure of (n-but-yl)[2-(2,6-di-meth-oxy-phen-yl)-6-methyl-phen-yl](2-meth-oxy-phen-yl)phospho-nium chloride monohydrate.

作者信息

Feng Ge, Filatov Alexander S, Jordan Richard F

机构信息

Department of Chemistry, the University of Chicago, 5735 South Ellis ave, Chicago, IL 60637, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Jan 13;72(Pt 2):174-7. doi: 10.1107/S2056989015024780. eCollection 2016 Feb 1.

DOI:10.1107/S2056989015024780
PMID:26958381
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4770974/
Abstract

The title hydrated salt, C26H32O3P(+)·Cl(-)·H2O, contains four different substit-uents (H, alkyl, aryl, and biar-yl) on the P atom. The P-H hydrogen atom of the phospho-nium ion was located in a difference Fourier map and refined without imposing additional restraints. In the crystal, the Cl(-) ions and water mol-ecules are linked by pairs of Owater-H⋯Cl(-) hydrogen bonds and further linked to the phospho-nium cation by P-H(+)⋯Cl(-) and CAr/OMe-H⋯Owater hydrogen bonds to form an infinite one-dimensional chain along the [010] direction.

摘要

水合盐C26H32O3P(+)·Cl(-)·H2O中,磷原子上有四个不同的取代基(氢、烷基、芳基和联芳基)。鏻离子的P-H氢原子在差值傅里叶图中被定位,并在没有施加额外限制的情况下进行了精修。在晶体中,Cl(-)离子和水分子通过Owater-H⋯Cl(-)氢键对相连,并通过P-H(+)⋯Cl(-)和CAr/OMe-H⋯Owater氢键进一步与鏻阳离子相连,沿[010]方向形成无限的一维链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/a882b4c418b2/e-72-00174-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/a6a3ad666097/e-72-00174-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/03cf4152e4da/e-72-00174-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/a882b4c418b2/e-72-00174-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/a6a3ad666097/e-72-00174-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/03cf4152e4da/e-72-00174-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3cd0/4770974/a882b4c418b2/e-72-00174-fig3.jpg

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