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N,N'-二环己基-N''-(2,6-二氟苯甲酰基)-N,N'-二甲基磷酰胺

N,N'-Dicyclo-hexyl-N''-(2,6-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

作者信息

Pourayoubi Mehrdad, Tarahhomi Atekeh, Rheingold Arnold L, Golen James A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3027. doi: 10.1107/S1600536811043029. Epub 2011 Oct 22.

DOI:10.1107/S1600536811043029
PMID:22220041
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247423/
Abstract

In the title mol-ecule, C(21)H(32)F(2)N(3)O(2)P, the P=O and N-H groups are syn with respect to each other, and the P atom is bonded in a distorted tetra-hedral environment. The phosphoryl group adopts an anti orientation with respect to the carbonyl group. The angles at the tertiary N atoms (with bond-angle sums of 358.4 and 357.0°) confirm their sp(2) character. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

摘要

在标题分子C(21)H(32)F(2)N(3)O(2)P中,P=O和N-H基团彼此顺式排列,且P原子键合于扭曲的四面体环境中。磷酰基相对于羰基呈反式取向。叔氮原子处的角度(键角总和分别为358.4°和357.0°)证实了它们的sp(2)特征。在晶体中,由N-H⋯O氢键对连接的反演二聚体形成R(2) (2)(8)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d0a/3247423/07da30af6798/e-67-o3027-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d0a/3247423/07da30af6798/e-67-o3027-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d0a/3247423/07da30af6798/e-67-o3027-fig1.jpg

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本文引用的文献

1
Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)2 skeleton and an R(2)(2)(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs.含C(O)NHP(O)(NH)₂骨架的磷酸三酰胺中的不同环状基序以及三种新化合物中的R(2)(2)(10)图集:基于基序的氢键强度数据库分析
Acta Crystallogr C. 2011 Jul;67(Pt 7):o265-72. doi: 10.1107/S0108270111019755. Epub 2011 Jun 29.
2
N,N'-Di-tert-butyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.N,N'-二叔丁基-N''-(2,6-二氟苯甲酰基)磷酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 13;66(Pt 12):o3159. doi: 10.1107/S1600536810045927.
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N-[Bis(dimethyl-amino)phosphinoyl]-2,2,2-trichloro-acetamide.
N- [双(二甲基氨基)磷酰基]-2,2,2-三氯乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 17;66(Pt 5):o1102. doi: 10.1107/S1600536810013589.
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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.