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N,N'-双（2-氯苄基）-N''-（2,2,2-三氯乙酰基）磷酰三胺

N,N'-Bis(2-chloro-benz-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide.

作者信息

Pourayoubi Mehrdad, Fadaei Hassan, Parvez Masood

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2046. doi: 10.1107/S1600536811027681. Epub 2011 Jul 16.

DOI:10.1107/S1600536811027681
PMID:22091073
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213494/
Abstract

The P atom in the title compound, C(16)H(15)Cl(5)N(3)O(2)P, exhibits a tetra-hedral coordination geometry and the phosphoryl and carbonyl groups are anti with respect to one another. The dihedral angle between the benzene rings is 44.90 (15)°. One of the 2-chloro-benzyl-amido fragments is disordered over two sets of sites with occupancies of 0.8823 (17) and 0.1177 (17). In the crystal, adjacent mol-ecules are linked via N-H⋯O(P) and N-H⋯O(C) hydrogen bonds into an extended chain running parallel to the a axis.

摘要

标题化合物C(16)H(15)Cl(5)N(3)O(2)P中的磷原子呈现四面体配位几何构型，磷酰基和羰基相互呈反式排列。苯环之间的二面角为44.90 (15)°。2-氯苄基酰胺片段中的一个在两组位置上无序，占有率分别为0.8823 (17)和0.1177 (17)。在晶体中，相邻分子通过N-H⋯O(P)和N-H⋯O(C)氢键连接成平行于a轴延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2599/3213494/ab979085d81c/e-67-o2046-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2599/3213494/ab979085d81c/e-67-o2046-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2599/3213494/ab979085d81c/e-67-o2046-fig1.jpg

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本文引用的文献

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Acta Crystallogr C. 2011 Jul;67(Pt 7):o265-72. doi: 10.1107/S0108270111019755. Epub 2011 Jun 29.
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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.
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Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2792. doi: 10.1107/S1600536811039511. Epub 2011 Sep 30.