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二苯基(异丙基氨基)磷酸酯

Diphenyl (isopropyl-amido)-phosphate.

作者信息

Sabbaghi Fahimeh, Pourayoubi Mehrdad, Nečas Marek, Babiak Michal

机构信息

Department of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan, Iran.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3459. doi: 10.1107/S1600536812047940. Epub 2012 Nov 28.

DOI:10.1107/S1600536812047940
PMID:23476271
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3589035/
Abstract

The P atom in the title compound, C15H18NO3P, is in a distorted tetra-hedral P(O)(O)2N environment; the bond angles at P are in the range 98.16 (6)-115.82 (6)°. In the crystal, adjacent mol-ecules are linked via N-H⋯O=P hydrogen bonds into a chain running parallel to the b axis. The methyl groups are disordered over two sets of sites in a 0.677 (14):0.323 (14) ratio. The crystal studied was a non-merohedral twin with a refined minor component of 22.31 (4)%.

摘要

标题化合物C₁₅H₁₈NO₃P中的磷原子处于扭曲的四面体P(O)(O)₂N环境中;磷原子处的键角在98.16 (6)°至115.82 (6)°范围内。在晶体中,相邻分子通过N-H⋯O=P氢键连接成平行于b轴的链。甲基在两组位置上无序分布,比例为0.677 (14):0.323 (14)。所研究的晶体为非镜像孪晶,细化后的次要组分占22.31 (4)%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a870/3589035/e8665c29221e/e-68-o3459-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a870/3589035/e8665c29221e/e-68-o3459-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a870/3589035/e8665c29221e/e-68-o3459-fig1.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2512. doi: 10.1107/S1600536811034507. Epub 2011 Aug 27.
2
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.