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链状聚[[四-μ-苯甲酸根-κ(8)O:O'-二铜(II)]-μ-[N-(吡啶-4-基)烟酰胺]-κ(2)N:N'-[二苯甲酸根-κ(2)O-铜(II)]-μ-[N-(吡啶-4-基)烟酰胺]-κ(2)N:N']

catena-Poly[[tetra-μ-benzoato-κ(8)O:O'-dicopper(II)]-μ-[N-(pyridin-4-yl)nicotin-amide]-κ(2)N:N'-[dibenzoato-κ(2)O-copper(II)]-μ-[N-(pyridin-4-yl)nicotin-amide]-κ(2)N:N'].

作者信息

Kraft Peter E, Laduca Robert L

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1049-50. doi: 10.1107/S1600536812030437. Epub 2012 Jul 10.

DOI:10.1107/S1600536812030437
PMID:22904725
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414118/
Abstract

In the polymeric title compound, Cu(3)(C(7)H(5)O(2))(6)(C(11)H(9)N(3)O)(2), square-planar-coordinated Cu(II) ions on crystallographic inversion centres are bound by two monodentate benzoate anions. The resulting Cu(benzoate) fragments are joined to centrosymmetic [Cu(2)(benzoate)(4)] paddlewheel clusters [Cu⋯Cu = 2.6331 (5) Å] by means of bridging N-(pyridin-4-yl)nicotinamide (4-pna) ligands [dihedral angle between the aromatic rings = 39.18 (12)°], thereby forming Cu(3)(benzoate)(6)(4-pna)(2) coordination-polymer chains that are arranged parallel to the [30-1] crystal direction. These polymeric chains are anchored into supra-molecular layers by N-H⋯O hydrogen bonding between neighboring 4-pna ligands. These layers aggregate by crystal packing forces to afford the crystal structure of the title compound.

摘要

在聚合标题化合物[Cu₃(C₇H₅O₂)₆(C₁₁H₉N₃O)₂]ₙ中，位于晶体学反演中心的平面正方形配位的Cu(II)离子由两个单齿苯甲酸根阴离子配位。所得的[Cu(苯甲酸根)]₂片段通过桥连的N-(吡啶-4-基)烟酰胺(4-pna)配体[芳环之间的二面角 = 39.18(12)°]连接到中心对称的[Cu₂(苯甲酸根)₄]桨轮簇[Cu⋯Cu = 2.6331(5) Å]，从而形成平行于[3 0 -1]晶体方向排列的[Cu₃(苯甲酸根)₆(4-pna)₂]ₙ配位聚合物链。这些聚合物链通过相邻4-pna配体之间的N-H⋯O氢键固定在超分子层中。这些层通过晶体堆积力聚集，从而得到标题化合物的晶体结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/e9d5b1816469/e-68-m1049-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/16cb572d8f22/e-68-m1049-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/16e5dcdf611d/e-68-m1049-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/03a3126df1d8/e-68-m1049-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/e9d5b1816469/e-68-m1049-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/16cb572d8f22/e-68-m1049-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/16e5dcdf611d/e-68-m1049-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/03a3126df1d8/e-68-m1049-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d12/3414118/e9d5b1816469/e-68-m1049-fig4.jpg

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