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环己基乙酸铵 - N,N',N'' - 三环己基磷酰胺（1/1）

Cyclo-hexyl-ammonium acetate-N,N',N''-tricyclo-hexyl-phospho-ric triamide (1/1).

作者信息

Pourayoubi Mehrdad, Keikha Mojtaba, Rheingold Arnold L, Golen James A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2266. doi: 10.1107/S1600536812028589. Epub 2012 Jun 30.

DOI:10.1107/S1600536812028589
PMID:22798914
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394049/
Abstract

In the phospho-ric triamide mol-ecule of the title compound, C(6)H(14)N(+)·C(2)H(3)O(2) (-)·C(18)H(36)N(3)OP, the P atom displays a distorted tetra-hedral geometry and the cyclo-hexyl rings adopt chair conformations with the NH groups in equatorial positions. In the crystal, the cations, anions and phosphoric triamide mol-ecules are linked via N-H⋯O hydrogen bonds into a two-dimensional array parallel to the bc plane. The O atom of the P(O) group acts as a double-hydrogen-bond acceptor.

摘要

在标题化合物C(6)H(14)N(+)·C(2)H(3)O(2) (-)·C(18)H(36)N(3)OP的磷酰胺分子中，P原子呈现出扭曲的四面体几何构型，环己基环采取椅式构象，NH基团位于赤道位置。在晶体中，阳离子、阴离子和磷酰胺分子通过N-H⋯O氢键连接成平行于bc平面的二维阵列。P(O)基团的O原子充当双氢键受体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e016/3394049/8ddd90a82fea/e-68-o2266-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e016/3394049/60c2c8cf7418/e-68-o2266-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e016/3394049/8ddd90a82fea/e-68-o2266-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e016/3394049/60c2c8cf7418/e-68-o2266-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e016/3394049/8ddd90a82fea/e-68-o2266-fig2.jpg

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本文引用的文献

1
Two new XP(O)[NHC(CH3)3]2 phosphoramidates, with X = (CH3)2N and [(CH3)3CNH]2P(O)(O).
Acta Crystallogr C. 2012 Apr;68(Pt 4):o164-9. doi: 10.1107/S0108270112008566. Epub 2012 Mar 14.
2
The double H-atom acceptability of the P=O group in new XP(O)(NHCH2C6H4-2-Cl)2 phosphoramidates [X = C6H5O- and CF3C(O)NH-]: a database analysis of compounds having a P(O)(NHR) group.新型XP(O)(NHCH2C6H4-2-Cl)2氨基磷酸酯[X = C6H5O-和CF3C(O)NH-]中P=O基团的双氢原子可接受性：对具有P(O)(NHR)基团的化合物的数据库分析
Acta Crystallogr C. 2012 Feb;68(Pt 2):o51-6. doi: 10.1107/S0108270111052097. Epub 2012 Jan 6.
3
N,N'-Dicyclo-hexyl-N'',N''-dimethyl-phospho-ric triamide.N，N'-二环己基-N''，N''-二甲基磷酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 26;67(Pt 2):o502. doi: 10.1107/S160053681100287X.
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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.