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4-(4-吡啶基)吡啶双(吡啶-2,6-二羧酸根)铬(III)四水合物

4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)chromium(III) tetra-hydrate.

作者信息

Soleimannejad Janet, Aghabozorg Hossein, Hooshmand Shabnam

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 20;64(Pt 4):m564-5. doi: 10.1107/S1600536808006594.

DOI:10.1107/S1600536808006594
PMID:21202019
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960993/
Abstract

The title compound, (C(10)H(9)N(2))[Cr(C(7)H(3)NO(4))(2)]·4H(2)O or (4,4'-bipyH)[Cr(pydc)(2)]·4H(2)O (where 4,4'-bipy is 4,4'-bipyridine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of chromium(III) chloride hexa-hydrate with pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine in a 1:2:4 molar ratio in aqueous solution. This compound is composed of an anionic complex, Cr(pydc)(2), protonated 4,4'-bipyridine as a counter-ion, (4,4'-bipyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Cr(III) atom, formed by two tridentate pyridine-2,6-dicarboxyl-ate, pydc(2-), groups. Inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and C-O⋯π stacking inter-actions (with distances of 3.3390 (13) and 3.4575 (13) Å) connect the various components into a supra-molecular structure.

摘要

标题化合物(C₁₀H₉N₂)[Cr(C₇H₃NO₄)₂]·4H₂O 或(4,4'-联吡啶鎓)[Cr(吡啶-2,6-二羧酸根)₂]·4H₂O(其中 4,4'-联吡啶为 4,4'-bipyridine,吡啶-2,6-二羧酸为 pydcH₂)通过六水合氯化铬(III)与吡啶-2,6-二羧酸和 4,4'-联吡啶以 1:2:4 的摩尔比在水溶液中反应合成。该化合物由一个阴离子配合物[Cr(pydc)₂]⁻、作为抗衡离子的质子化 4,4'-联吡啶(4,4'-bipyH⁺)和四个未配位的水分子组成。阴离子是一个六配位配合物,围绕 Cr(III)原子具有扭曲的八面体几何构型,由两个三齿的吡啶-2,6-二羧酸根(pydc²⁻)基团形成。分子间的 O—H⋯O、N—H⋯O 和 C—H⋯O 氢键以及 C—O⋯π 堆积相互作用(距离为 3.3390(13)和 3.4575(13)Å)将各个组分连接成一个超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/ecea1cdfdda6/e-64-0m564-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/130489192896/e-64-0m564-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/d56ffce55186/e-64-0m564-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/ecea1cdfdda6/e-64-0m564-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/130489192896/e-64-0m564-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/d56ffce55186/e-64-0m564-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/31cd/2960993/ecea1cdfdda6/e-64-0m564-fig3.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2,6-二氨基吡啶双-(4-羟基吡啶-2,6-二羧酸根-κO,N,O)铬(III)二水合物
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