Crystal structure of <i>catena</i>-poly[[diaquadiimidazolecobalt(II)]-μ<sub>2</sub>-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]

The asymmetric unit of the title compound, [Co(C<sub>8</sub>Br<sub>4</sub>O<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] <sub><i>n</i></sub> or [Co(Br<sub>4</sub>bdc)(im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] <sub><i>n</i></sub> , comprises half of Co<sup>II</sup> ion, tetra-bromo-benzene-dicarboxylate (Br<sub>4</sub>bdc<sup>2-</sup>), imidazole (im) and a water mol-ecule. The Co<sup>II</sup> ion exhibits a six-coordinated octa-hedral geometry with two oxygen atoms of the Br<sub>4</sub>bdc<sup>2-</sup> 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<sup>II</sup> ion. The Co<sup>II</sup> ions are bridged by the Br<sub>4</sub>bdc<sup>2-</sup> 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 <i>via</i> inter-chain hydrogen bonding and π-π inter-actions, yielding a three-dimensional network.

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Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-10-31
DOI
https://doi.org/10.1107/s2056989024009915
Primary Topic
Metal-Organic Frameworks: Synthesis and Applications
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article
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article

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

Hitoshi Kumagai, Satoshi Kawata, Nobuhiro Ogihara
Acta Crystallographica Section E Crystallographic Communications
Metal-Organic Frameworks: Synthesis and Applications
article

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

Hitoshi Kumagai, Satoshi Kawata, Nobuhiro Ogihara
article en

Abstract

The asymmetric unit of the title compound, [Co(C<sub>8</sub>Br<sub>4</sub>O<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] <sub><i>n</i></sub> or [Co(Br<sub>4</sub>bdc)(im)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] <sub><i>n</i></sub> , comprises half of Co<sup>II</sup> ion, tetra-bromo-benzene-dicarboxylate (Br<sub>4</sub>bdc<sup>2-</sup>), imidazole (im) and a water mol-ecule. The Co<sup>II</sup> ion exhibits a six-coordinated octa-hedral geometry with two oxygen atoms of the Br<sub>4</sub>bdc<sup>2-</sup> 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<sup>II</sup> ion. The Co<sup>II</sup> ions are bridged by the Br<sub>4</sub>bdc<sup>2-</sup> 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 <i>via</i> inter-chain hydrogen bonding and π-π inter-actions, yielding a three-dimensional network.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(11)
Toyota Motor Corporation (Switzerland) (CH), Fukuoka University (JP), Toyota Central Research and Development Laboratories (Japan) (JP)
Clean water and sanitation
Openalex Percentile: Top 85%
Metal-Organic Frameworks: Synthesis and Applications
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