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1-甲基-1-氮杂-3,5-二氮杂-7-磷杂三环-[3.3.1.1]癸烷四氟硼酸盐

1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo-[3.3.1.1]decane tetra-fluoro-borate.

作者信息

Smoleński Piotr, Kirillov Alexander M, Guedes da Silva M Fátima C, Pombeiro Armando J L

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Feb 6;64(Pt 3):o556. doi: 10.1107/S1600536808003401.

DOI:10.1107/S1600536808003401
PMID:21201899
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960824/
Abstract

The title compound, C(7)H(15)N(3)P(+)·BF(4) (-) or [PTA-Me][BF(4)], is the N-methyl-ated derivative of the well known water-soluble amino-phosphine 1,3,5-triaza-7-phosphaadamantane (PTA). The asymmetric unit consists of a cage-like cation PTA-Me and a disordered tetra-fluoro-borate anion; two F atoms are disordered equally over two sites. A network of weak inter-molecular C-H⋯F hydrogen bonds results in a three-dimensional supra-molecular assembly.

摘要

标题化合物C₇H₁₅N₃P⁺·BF₄⁻ 或 [PTA-Me][BF₄] 是著名的水溶性氨基膦1,3,5-三氮杂-7-磷杂金刚烷(PTA)的N-甲基化衍生物。不对称单元由一个笼状阳离子[PTA-Me]⁺和一个无序的四氟硼酸根阴离子组成;两个F原子在两个位置上无序分布。弱分子间C-H⋯F氢键网络形成了三维超分子组装体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad03/2960824/d30fdd491fdc/e-64-0o556-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad03/2960824/28860311fa31/e-64-0o556-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad03/2960824/d30fdd491fdc/e-64-0o556-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad03/2960824/28860311fa31/e-64-0o556-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad03/2960824/d30fdd491fdc/e-64-0o556-fig2.jpg

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本文引用的文献

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Dalton Trans. 2008 Jan 7(1):87-91. doi: 10.1039/b712360d.
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A short history of SHELX.
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