Kumagai Hitoshi, Kawata Satoshi, Ogihara Nobuhiro
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.
Acta Crystallogr E Crystallogr Commun. 2024 Oct 31;80(Pt 11):1217-1220. doi: 10.1107/S2056989024009915. eCollection 2024 Oct 1.
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.
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。
