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2-氰基苯胺磷酸二氢盐

2-Cyano-anilinium dihydrogen phosphate.

作者信息

Zhang Li

机构信息

Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 12;65(Pt 10):o2449. doi: 10.1107/S1600536809034898.

DOI:10.1107/S1600536809034898
PMID:21577904
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970356/
Abstract

In the cation of the title compound, C(7)H(7)N(2) (+)·H(2)PO(4) (-), the nitrile group and the benzene ring are almost coplanar (r.m.s. deviation = 0.0035 Å). The cations and anions are connected by inter-molecular N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, together with π-π inter-actions [centroid-centroid distance = 3.8131 (9) Å], forming a three-dimensional network.

摘要

在标题化合物C(7)H(7)N(2) (+)·H(2)PO(4) (-)的阳离子中,腈基和苯环几乎共面(均方根偏差 = 0.0035 Å)。阳离子和阴离子通过分子间的N-H⋯O、O-H⋯O和O-H⋯N氢键以及π-π相互作用[质心-质心距离 = 3.8131 (9) Å]相连,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc08/2970356/c30ac232dcb4/e-65-o2449-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc08/2970356/fc53846f91d4/e-65-o2449-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc08/2970356/c30ac232dcb4/e-65-o2449-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc08/2970356/fc53846f91d4/e-65-o2449-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc08/2970356/c30ac232dcb4/e-65-o2449-fig2.jpg

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本文引用的文献

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The first metal-organic framework (MOF) of Imazethapyr and its SHG, piezoelectric and ferroelectric properties.
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