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.
Authors
- Hitoshi Kumagai (ORCID: https://orcid.org/0000-0001-7996-7836)
- Satoshi Kawata (ORCID: https://orcid.org/0000-0002-7615-6517)
- Nobuhiro Ogihara (ORCID: https://orcid.org/0000-0002-6305-6859)
Institutions
- Fukuoka University (JP)
- Toyota Central Research and Development Laboratories (Japan) (JP)
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
- Field-Weighted Citation Impact
- 0.00