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2,4,6-三羟基苯甲酸三聚氰胺二水合物

Melaminium 2,4,6-trihydroxy-benzoate dihydrate.

作者信息

Prior Timothy J, Goch Osman, Kift Rebecca L

机构信息

Department of Chemistry, University of Hull, Kingston upon Hull HU6 7RX, England.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 12;65(Pt 9):o2133. doi: 10.1107/S1600536809031055.

DOI:10.1107/S1600536809031055
PMID:21577544
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969927/
Abstract

In the title compound, C(3)H(7)N(6) (+)·C(7)H(5)O(5) (-)·2H(2)O, the melaminium and benzoate ions are approximately planar (r.m.s. deviation of the non-hydrogen atoms is 0.093 Å) and there is a strong C(2) (2)(8) hydrogen-bonding embrace between them. The centre of symmetry generates a second acid-base pair which is bound to the first by a C(2) (2)(8) (N-H⋯N) embrace common between melamine mol-ecules in similar compounds. Further extensive hydrogen bonding assembles the components into a three-dimensional hydrogen-bonded network.

摘要

在标题化合物C(3)H(7)N(6) (+)·C(7)H(5)O(5) (-)·2H(2)O中,三聚氰胺离子和苯甲酸根离子近似呈平面状(非氢原子的均方根偏差为0.093 Å),它们之间存在强烈的C(2) (2)(8)氢键结合。对称中心产生了第二对酸碱对,该对酸碱对通过类似化合物中三聚氰胺分子间共有的C(2) (2)(8)(N-H⋯N)结合与第一对相连。进一步广泛的氢键作用将各组分组装成三维氢键网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/0df010e86fd2/e-65-o2133-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/200e96879563/e-65-o2133-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/0ebacca7b122/e-65-o2133-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/2df7a620a1f0/e-65-o2133-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/0df010e86fd2/e-65-o2133-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/200e96879563/e-65-o2133-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/0ebacca7b122/e-65-o2133-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/2df7a620a1f0/e-65-o2133-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4945/2969927/0df010e86fd2/e-65-o2133-fig4.jpg

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Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):380-8. doi: 10.1107/s0108768102003890. Epub 2002 May 29.
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