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二水合 -(2,2'-联吡啶 - 5,5'-二羧酸根 - κN,N')(乙二胺 - κN,N')铜(II)2.5水合物

Diaqua-(2,2'-bipyridine-5,5'-dicarboxyl-ato-κN,N')(ethyl-enediamine-κN,N')copper(II) 2.5-hydrate.

作者信息

Yousefi Mohammad, Khalighi Aida, Tadayon Pour Nasim, Amani Vahid, Khavasi Hamid Reza

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 20;64(Pt 10):m1284-5. doi: 10.1107/S1600536808029061.

DOI:10.1107/S1600536808029061
PMID:21201030
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959425/
Abstract

In the mol-ecule of the title compound, [Cu(C(12)H(6)N(2)O(4))(C(2)H(8)N(2))(H(2)O)(2)]·2.5H(2)O, the Cu(II) atom is six-coordinated in a distorted octa-hedral configuration by two N atoms from a 2,2'-bipyridine-5,5'-dicarboxyl-ate anion, two N atoms from ethyl-enediamine and two O atoms from two water mol-ecules. There are also two and a half water mol-ecules in the asymmetric unit. The planar five-membered ring is nearly coplanar with the adjacent pyridine rings, while the other five-membered ring adopts a twisted conformation, probably due to hydrogen bonding. In the crystal structure, intra- and inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules.

摘要

在标题化合物[Cu(C₁₂H₆N₂O₄)(C₂H₈N₂)(H₂O)₂]·2.5H₂O的分子中,Cu(II)原子由来自2,2'-联吡啶-5,5'-二羧酸根阴离子的两个N原子、来自乙二胺的两个N原子以及来自两个水分子的两个O原子以扭曲的八面体构型进行六配位。不对称单元中还有两个半水分子。平面五元环与相邻的吡啶环几乎共面,而另一个五元环则采取扭曲构象,这可能是由于氢键作用。在晶体结构中,分子内和分子间的N-H⋯O和O-H⋯O氢键将分子连接起来。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa7c/2959425/92523a9737b5/e-64-m1284-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa7c/2959425/96170d461470/e-64-m1284-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa7c/2959425/92523a9737b5/e-64-m1284-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa7c/2959425/96170d461470/e-64-m1284-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa7c/2959425/92523a9737b5/e-64-m1284-fig2.jpg

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