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邻苯基(叔丁基酰胺基)(对甲苯基酰胺基)次膦酸酯

O-Phenyl (tert-butyl-amido)(p-tolyl-amido)-phosphinate.

作者信息

Pourayoubi Mehrdad, Rheingold Arnold L, Chen Chao, Karimi Ahmadabad Fatemeh, Tarahhomi Atekeh

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3405-6. doi: 10.1107/S1600536811048537. Epub 2011 Nov 23.

DOI:10.1107/S1600536811048537
PMID:22199892
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239044/
Abstract

In the title mol-ecule, C(17)H(23)N(2)O(2)P, the P atom has a distorted tetra-hedral environment. The P-N bond to the tolyl-amido fragment is 1.642 (4) Å while that to the butyl-amido fragment is 1.629 (3) Å. The dihedral angle between the two benzene rings is 82.3 (2)°. In the crystal, adjacent mol-ecules are linked via weak N-H⋯(O)P and N-H⋯N hydrogen-bonding inter-actions into an extended chain parallel to the b axis. The three methyl groups of the tert-butyl-amido substituent are disordered over two sets of sites with equal occupancies. The crystal studied was found to be a non-merohedral twin with the minor twin component = 23.1 (1)%.

摘要

在标题分子C(17)H(23)N(2)O(2)P中,磷(P)原子具有扭曲的四面体环境。与甲苯基酰胺片段相连的P-N键长为1.642 (4) Å,而与丁基酰胺片段相连的P-N键长为1.629 (3) Å。两个苯环之间的二面角为82.3 (2)°。在晶体中,相邻分子通过弱的N-H⋯(O)P和N-H⋯N氢键相互作用连接成平行于b轴的延伸链。叔丁基酰胺取代基的三个甲基在两组占有率相等的位置上无序分布。所研究的晶体被发现是一个非镜像孪晶,次要孪晶组分 = 23.1 (1)%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a32/3239044/778471cc38c3/e-67-o3405-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a32/3239044/d2d3b5e34c92/e-67-o3405-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a32/3239044/778471cc38c3/e-67-o3405-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a32/3239044/d2d3b5e34c92/e-67-o3405-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a32/3239044/778471cc38c3/e-67-o3405-fig2.jpg

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本文引用的文献

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2
O-Phenyl (cyclo-hexyl-amido)(p-tolyl-amido)-phosphinate.邻苯基(环己基氨基)(对甲苯基氨基)次膦酸酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1502. doi: 10.1107/S1600536811018502. Epub 2011 May 25.
3
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.
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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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N-Cyclo-hexyl-cyclo-hexa-naminium chloride.N-环己基环己六铵氯化物
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A short history of SHELX.SHELX简史。
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