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水合氢离子三(2,4,6 - 三氨基 - 1,3,5 - 三嗪鎓)双[双(吡啶 - 2,6 - 二羧酸根)铜(II)]吡啶 - 2,6 - 二羧酸六水合物

Hydroxonium hydrate tris-(2,4,6-tri-amino-1,3,5-triazin-1-ium) bis-[bis-(pyri-dine-2,6-dicarboxyl-ato)cuprate(II)] pyridine-2,6-dicarboxylic acid hexa-hydrate.

作者信息

Aghabozorg Hossein, Attar Gharamaleki Jafar, Olmstead Marilyn M, Derikvand Zohreh, Hooshmand Shabnam

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 14;65(Pt 2):m186-7. doi: 10.1107/S1600536809000828.

DOI:10.1107/S1600536809000828
PMID:21581789
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968149/
Abstract

The reaction of copper(II) nitrate hexa-hydrate with pyridine-2,6-dicarboxylic acid (pydcH(2)) and 2,4,6-triamino-1,3,5-triazine (melamine) in aqueous solution in a 1:2:2 molar ratio gave the title compound, (H(5)O(2))(C(3)H(7)N(6))(3)Cu(C(7)H(3)NO(4))(2)·C(7)H(5)NO(4)·6H(2)O. The hydroxonium hydrate (H(5)O(2))(+), also known as the Zundel cation, resides on a twofold rotation axis. The O-H distance is 1.274 (14) Å, the O⋯O distance is 2.518 (5) Å, and the O-H-O angle is 162 (8)°. One of the melamine H(+) cations, the uncoordinated pydcH(2), and two water mol-ecules also reside on crystallographic twofold axes. The Cu(II) atom has a tetra-gonally distorted octa-hedral coordination environment. The structure features extensive hydrogen bonding, with 21 distinct inter-actions. There is also a centrosymmetric C=O⋯π inter-action with an O⋯centroid distance of 3.288 (3) Å. The structure is similar to a mixed-valence manganese(II/III) structure but shows inter-esting differences in the metal-atom coordination. One of the water molecules is equally disordered with respect to a twofold axis.

摘要

硝酸铜(II)六水合物与吡啶 - 2,6 - 二羧酸(pydcH₂)和2,4,6 - 三氨基 - 1,3,5 - 三嗪(三聚氰胺)在水溶液中以1:2:2的摩尔比反应,得到标题化合物(H₅O₂)(C₃H₇N₆)₃[Cu(C₇H₃NO₄)₂]₂·C₇H₅NO₄·6H₂O。水合氢离子(H₅O₂)⁺,也称为祖德耳阳离子,位于一个二次旋转轴上。O - H距离为1.274 (14) Å,O⋯O距离为2.518 (5) Å,O - H - O角度为162 (8)°。三聚氰胺的一个H⁺阳离子、未配位的pydcH₂和两个水分子也位于晶体学二次轴上。Cu(II)原子具有四方畸变的八面体配位环境。该结构具有广泛的氢键作用,有21种不同的相互作用。还有一个中心对称的C = O⋯π相互作用,O⋯质心距离为3.288 (3) Å。该结构类似于混合价态的锰(II/III)结构,但在金属原子配位方面表现出有趣的差异。其中一个水分子相对于二次轴是等无序的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/02cf29f12d73/e-65-0m186-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/9edfa058b90a/e-65-0m186-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/b9c26f15fac2/e-65-0m186-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/02cf29f12d73/e-65-0m186-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/9edfa058b90a/e-65-0m186-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/b9c26f15fac2/e-65-0m186-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b822/2968149/02cf29f12d73/e-65-0m186-fig3.jpg

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