Crystal structure of poly[[aqua(μ<sub>2</sub>-pyrazine-κ<sup>2</sup> <i>N</i>:<i>N</i>′)(μ<sub>2</sub>-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ<sup>2</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>4</sup>)copper(II)] hemihydrate]

The asymmetric unit of the title compound, {[Cu<sub>2</sub>(C<sub>8</sub>Cl<sub>4</sub>O<sub>4</sub>)<sub>2</sub>(C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O} <sub><i>n</i></sub> or {[Cu<sub>2</sub>(Cl<sub>4</sub>bdc)<sub>2</sub>(pyz)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O} <sub><i>n</i></sub> comprises of a Cu<sup>II</sup> ion, one tetra-chloro-benzene-dicarboxyl-ate ion (Cl<sub>4</sub>bdc<sup>2-</sup>), one pyrazine ligand (pyz), and one and a half water mol-ecules. The Cu<sup>II</sup> ion exhibits a five-coordinated square-pyramidal geometry with a CuN<sub>2</sub>O<sub>3</sub> coordination environment comprising two oxygen atoms of the Cl<sub>4</sub>bdc<sup>2-</sup> ligands, one oxygen atom of a water mol-ecule, and two nitro-gen atoms of the pyz ligands. The carboxyl-ate group is almost perpendicular to the benzene ring and shows monodentate coordination to the Cu<sup>II</sup> ion. The Cu<sup>II</sup> ions of these units are bridged by both the Cl<sub>4</sub>bdc<sup>2-</sup> and pyz ligands to form two-dimensional (2D) layers, which are linked by alternating hydrogen-bonding and C-Cl⋯π inter-actions to yield a three-dimensional network.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2025-04-24
DOI
https://doi.org/10.1107/s2056989025003457
Primary Topic
Metal-Organic Frameworks: Synthesis and Applications
Type
article
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article

Crystal structure of poly[[aqua(μ2-pyrazine-κ2 N:N′)(μ2-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ2 O 1:O 4)copper(II)] hemihydrate]

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

Crystal structure of poly[[aqua(μ2-pyrazine-κ2 N:N′)(μ2-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ2 O 1:O 4)copper(II)] hemihydrate]

Hitoshi Kumagai, Satoshi Kawata, Nobuhiro Ogihara
article en

Abstract

The asymmetric unit of the title compound, {[Cu<sub>2</sub>(C<sub>8</sub>Cl<sub>4</sub>O<sub>4</sub>)<sub>2</sub>(C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O} <sub><i>n</i></sub> or {[Cu<sub>2</sub>(Cl<sub>4</sub>bdc)<sub>2</sub>(pyz)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O} <sub><i>n</i></sub> comprises of a Cu<sup>II</sup> ion, one tetra-chloro-benzene-dicarboxyl-ate ion (Cl<sub>4</sub>bdc<sup>2-</sup>), one pyrazine ligand (pyz), and one and a half water mol-ecules. The Cu<sup>II</sup> ion exhibits a five-coordinated square-pyramidal geometry with a CuN<sub>2</sub>O<sub>3</sub> coordination environment comprising two oxygen atoms of the Cl<sub>4</sub>bdc<sup>2-</sup> ligands, one oxygen atom of a water mol-ecule, and two nitro-gen atoms of the pyz ligands. The carboxyl-ate group is almost perpendicular to the benzene ring and shows monodentate coordination to the Cu<sup>II</sup> ion. The Cu<sup>II</sup> ions of these units are bridged by both the Cl<sub>4</sub>bdc<sup>2-</sup> and pyz ligands to form two-dimensional (2D) layers, which are linked by alternating hydrogen-bonding and C-Cl⋯π inter-actions to yield a three-dimensional network.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 81(5)
Fukuoka University (JP), Toyota Central Research and Development Laboratories (Japan) (JP)
Clean water and sanitation
Openalex Percentile: Top 93%
Metal-Organic Frameworks: Synthesis and Applications
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