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硫酸双(4-羟基吡啶鎓)一水合物

Bis(4-hydroxy-pyridinium) sulfate monohydrate.

作者信息

Xu Ying-Ming, Gao Shan, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3146. doi: 10.1107/S1600536809048521.

DOI:10.1107/S1600536809048521
PMID:21578865
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971874/
Abstract

In the crystal structure of the title salt, 2C(5)H(6)NO(+)·SO(4) (2-)·H(2)O, one planar (r.m.s. deviation = 0.01 Å) cation is stacked approximately over the other [dihedral angle between planes = 8.6 (1)°]. The pyridinium and hydr-oxy H atoms are hydrogen-bond donor atoms to the O atoms of the sulfate anion; the cations, anions and water mol-ecules are consolidated into a three-dimensional network through O-H⋯O and N-H⋯O hydrogen bonds.

摘要

在标题盐2C₅H₆NO⁺·SO₄²⁻·H₂O的晶体结构中,一个平面(均方根偏差 = 0.01 Å)阳离子大致堆叠在另一个阳离子之上[平面之间的二面角 = 8.6 (1)°]。吡啶鎓和羟基H原子是硫酸根阴离子O原子的氢键供体原子;阳离子、阴离子和水分子通过O—H⋯O和N—H⋯O氢键巩固成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9065/2971874/c1759d2f2df2/e-65-o3146-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9065/2971874/c1759d2f2df2/e-65-o3146-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9065/2971874/c1759d2f2df2/e-65-o3146-fig1.jpg

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Tris(4-hydroxy-pyridinium) hydrogen sulfate-sulfate monohydrate.硫酸三(4-羟基吡啶鎓)一水合硫酸氢盐

本文引用的文献

1
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.
2
2-Pyridone-tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate.2-吡啶酮-酒石酸(1/1)、3-羟基吡啶氢酒石酸盐和4-羟基吡啶氢酒石酸盐。
Acta Crystallogr C. 2004 Oct;60(Pt 10):o718-22. doi: 10.1107/S0108270104019201. Epub 2004 Sep 4.
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3147. doi: 10.1107/S1600536809048545.