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双（二甲基丙二酸根合-κO,O'）双-[4-(4-吡啶氨基-κN)吡啶鎓]镍（II）六水合物

Bis(dimethyl-malonato-κO,O')bis-[4-(4-pyridylamino-κN)pyridinium]nickel(II) hexa-hydrate.

作者信息

Farnum Gregory A, Laduca Robert L

机构信息

Lyman Briggs College, Department of Chemistry, Michigan State University, East Lansing, MI 48825, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):m1603. doi: 10.1107/S160053680803835X.

DOI:10.1107/S160053680803835X
PMID:21581200
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960085/
Abstract

In the title compound, [Ni(C(5)H(6)O(4))(2)(C(10)H(10)N(3))(2)]·6H(2)O, divalent nickel ions situated on the crystallographic twofold axis are octa-hedrally coordinated by four O atoms from two dimethyl-malonate ligands in a 1,3-chelating mode and two N atoms from two protonated monodentate 4,4'-dipyridylamine mol-ecules. The mol-ecules link into chains via N-H⋯O hydrogen bonding mediated by protonated pyridyl groups. The chains form layer patterns via π-π stacking [centroid-centroid distance = 3.777 (2) Å] . Water mol-ecule hexa-mers are generated from the unligated water mol-ecules (three per asymmetric unit) by inversion centers at Wyckoff position d. These clusters are situated between the pseudolayers, providing hydrogen-bonding pathways that build up the three-dimensional structure.

摘要

在标题化合物[Ni(C₅H₆O₄)₂(C₁₀H₁₀N₃)₂]·6H₂O中，位于晶体学二重轴上的二价镍离子由来自两个丙二酸二甲酯配体的四个O原子以1,3-螯合模式和来自两个质子化单齿4,4'-联吡啶胺分子的两个N原子八面体配位。分子通过质子化吡啶基团介导的N-H⋯O氢键连接成链。这些链通过π-π堆积[质心-质心距离 = 3.777 (2) Å]形成层状图案。水分子六聚体由未配位的水分子（每个不对称单元三个）通过Wyckoff位置d处的反演中心产生。这些簇位于假层之间，提供构建三维结构的氢键途径。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/d38606e8430f/e-64-m1603-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/0df4d40c54e8/e-64-m1603-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/ac7d3570d702/e-64-m1603-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/d38606e8430f/e-64-m1603-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/0df4d40c54e8/e-64-m1603-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/ac7d3570d702/e-64-m1603-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e69d/2960085/d38606e8430f/e-64-m1603-fig3.jpg

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