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-聚[[二水合二咪唑钴(II)]-μ-2,3,5,6-四溴苯-1,4-二羧酸根]的晶体结构

Crystal structure of -poly[[di-aqua-di-imida-zole-cobalt(II)]-μ-2,3,5,6-tetra-bromo-benzene-1,4-di-carboxyl-ato].

作者信息

Kumagai Hitoshi, Kawata Satoshi, Ogihara Nobuhiro

机构信息

Toyota Central R&D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192, Japan.

Department of Chemistry Fukuoka University 8-19-1 Nanakuma Jonan-ku Fukuoka 814-0180 Japan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Oct 31;80(Pt 11):1217-1220. doi: 10.1107/S2056989024009915. eCollection 2024 Oct 1.

Abstract

The asymmetric unit of the title compound, [Co(CBrO)(CHN)(HO)] or [Co(Brbdc)(im)(HO)] , comprises half of Co ion, tetra-bromo-benzene-dicarboxylate (Brbdc), imidazole (im) and a water mol-ecule. The Co ion exhibits a six-coordinated octa-hedral geometry with two oxygen atoms of the Brbdc ligand, two oxygen atoms of the water mol-ecules, and two nitro-gen atoms of the im ligands. The carboxyl-ate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the Co ion. The Co ions are bridged by the Brbdc ligand, forming a one-dimensional chain. The carboxyl-ate group acts as an inter-molecular hydrogen-bond acceptor toward the im ligand and a coordinated water mol-ecule. The chains are connected by inter-chain N-H⋯O(carboxyl-ate) and O-H(water)⋯O(carboxyl-ate) hydrogen-bonding inter-actions and are not arranged in parallel but cross each other inter-chain hydrogen bonding and π-π inter-actions, yielding a three-dimensional network.

摘要

标题化合物[Co(CBrO)(CHN)(HO)]或[Co(Brbdc)(im)(HO)]的不对称单元包含半个钴离子、四溴苯二甲酸酯(Brbdc)、咪唑(im)和一个水分子。钴离子呈现六配位八面体几何构型,与Brbdc配体的两个氧原子、水分子的两个氧原子以及im配体的两个氮原子配位。羧酸根基团几乎垂直于苯环,并以单齿方式与钴离子配位。钴离子由Brbdc配体桥连,形成一维链。羧酸根基团作为分子间氢键受体,与im配体和配位水分子相互作用。这些链通过链间N-H⋯O(羧酸根)和O-H(水)⋯O(羧酸根)氢键相互作用相连,并非平行排列,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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/545d/11660475/baa54525afa6/e-80-01217-fig1.jpg

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