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N,N,N',N'-四苄基-N''-(2,6-二氟苯甲酰基)磷酰三酰胺

N,N,N',N'-Tetra-benzyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.

作者信息

Raissi Shabari Akbar, Pourayoubi Mehrdad, Tarahhomi Atekeh, Rheingold Arnold L, Golen James A

机构信息

Faculty of Chemistry, North Tehran Branch, Islamic Azad University, Tehran, Iran.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3186. doi: 10.1107/S1600536812042481. Epub 2012 Oct 20.

DOI:10.1107/S1600536812042481
PMID:23284497
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3515277/
Abstract

In the C(O)NHP(O) fragment of the title compound, C(35)H(32)F(2)N(3)O(2)P, the P-N bond is longer and the O-P-N angle is contracted compared with the other two P-N bonds and O-P-N angles. The P atom adopts a distorted tetra-hedral environment and the phosphoryl and carbonyl groups are anti with respect to each other. The two tertiary N atoms of the dibenzyl-amido groups show sp(2) character with a slight deviation from planarity. In the crystal, pairs of N-H⋯O(P) hydrogen bonds form inversion dimers.

摘要

在标题化合物C(35)H(32)F(2)N(3)O(2)P的C(O)NHP(O)片段中,与其他两个P-N键和O-P-N角相比,P-N键更长,O-P-N角收缩。P原子采用扭曲的四面体环境,磷酰基和羰基相互呈反式。二苄基酰胺基的两个叔氮原子表现出sp(2)特征,与平面有轻微偏差。在晶体中,N-H⋯O(P)氢键对形成反转二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74ee/3515277/e4f7447048a0/e-68-o3186-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74ee/3515277/e4f7447048a0/e-68-o3186-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74ee/3515277/e4f7447048a0/e-68-o3186-fig1.jpg

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本文引用的文献

1
Three new [XC(O)NH]P(O)[N(CH2C6H5)2]2 phosphoric triamides (X = CClF2, 3-F-C6H4 and 3,5-F2-C6H3): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]2 core.三种新型[XC(O)NH]P(O)[N(CH2C6H5)2]2磷酰三酰胺(X = CClF2、3-F-C6H4和3,5-F2-C6H3):对具有C(O)NHP(O)[N]2核心的化合物中叔氮原子几何结构的数据库分析
Acta Crystallogr C. 2012 Oct;68(Pt 10):o399-404. doi: 10.1107/S0108270112036396. Epub 2012 Sep 12.
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N,N'-Dicyclo-hexyl-N,N'-dimethyl-N''-(4-nitro-benzo-yl)phospho-ric triamide.N,N'-二环己基-N,N'-二甲基-N''-(4-硝基苯甲酰基)磷酰胺三酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1754. doi: 10.1107/S1600536810023524.
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N,N'-Dibenzyl-N''-(2,6-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.
N,N'-二苄基-N''-(2,6-二氟苯甲酰基)-N,N'-二甲基磷酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 11;66(Pt 10):o2524. doi: 10.1107/S1600536810035725.
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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.