Crystal structure of catena-poly[[di­aqua­di­imida­zole­cobalt(II)]-μ2-2,3,5,6-tetra­bromo­benzene-1,4-di­carboxyl­ato]

IF 0.5 Q4 CRYSTALLOGRAPHY
Hitoshi Kumagai , Satoshi Kawata , Nobuhiro Ogihara
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引用次数: 0

Abstract

In [Co(Br4bdc)(im)2(H2O)2], the CoII ions are bridged by the Br4bdc2− ligand, forming one-dimensional chains, which are inter­connected by inter­chain N–H⋯O and O–H⋯O hydrogen-bonding and π–π inter­actions, yielding a three-dimensional network.
The asymmetric unit of the title compound, [Co(C8Br4O4)(C3H4N2)2(H2O)2]n or [Co(Br4bdc)(im)2(H2O)2]n, comprises half of CoII ion, tetra­bromo­benzene­dicarboxylate (Br4bdc2−), imidazole (im) and a water mol­ecule. The CoII ion exhibits a six-coordinated octa­hedral geometry with two oxygen atoms of the Br4bdc2− ligand, two oxygen atoms of the water mol­ecules, and two nitro­gen atoms of the im ligands. The carboxyl­ate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the CoII ion. The CoII ions are bridged by the Br4bdc2− ligand, forming a one-dimensional chain. The carboxyl­ate group acts as an inter­molecular hydrogen-bond acceptor toward the im ligand and a coordinated water mol­ecule. The chains are connected by inter­chain N—H⋯O(carboxyl­ate) and O—H(water)⋯O(carboxyl­ate) hydrogen-bonding inter­actions and are not arranged in parallel but cross each other via inter­chain hydrogen bonding and π–π inter­actions, yielding a three-dimensional network.
链链-聚[[二水-二咪达-唑-钴(II)]-μ2-2,3,5,6-四溴苯-1,4-二羧基-ato]的晶体结构。
标题化合物的不对称单元[Co(C8Br4O4)(C3H4N2)2(H2O)2] n或[Co(Br4bdc)(im)2(H2O)2] n由一半CoII离子、四溴苯二羧酸盐(Br4bdc2-)、咪唑(im)和一个水分子组成。CoII离子呈现六配位八面体结构,其中Br4bdc2-配体的两个氧原子、水分子的两个氧原子和im配体的两个氮原子。羧酸基几乎垂直于苯环,与CoII离子呈单齿配位。CoII离子由Br4bdc2-配体桥接,形成一维链。羧酸基团作为分子间的氢键受体与内配体和配位水分子。这些链通过链间N-H⋯O(羧酸盐)和O- h(水)⋯O(羧酸盐)氢键相互作用连接,并且不是平行排列,而是通过链间氢键和π-π相互作用相互交叉,形成三维网络。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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