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Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands

3-Methyl­benzoic acid (3-mbH) and 2,2′-bi­pyridine (bipy) reacted with a cop­per(II) salt forming a new mixed ligand complex, aqua­(2,2′-bi­pyridine-κ(2) N,N′)bis­(3-methyl­benzoato)-κ(2) O,O′;κO-copper(II) 0.68-hydrate, [Cu(C(8)H(7)O(2))(2)(C(10)H(8)N(2))(H(2)O)]·0.68H(2)O or [Cu(3-mb)(2)(bipy)(H(2...

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Autor principal: Qadir, Adnan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483552/
https://www.ncbi.nlm.nih.gov/pubmed/37693670
http://dx.doi.org/10.1107/S2056989023006904
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author Qadir, Adnan
author_facet Qadir, Adnan
author_sort Qadir, Adnan
collection PubMed
description 3-Methyl­benzoic acid (3-mbH) and 2,2′-bi­pyridine (bipy) reacted with a cop­per(II) salt forming a new mixed ligand complex, aqua­(2,2′-bi­pyridine-κ(2) N,N′)bis­(3-methyl­benzoato)-κ(2) O,O′;κO-copper(II) 0.68-hydrate, [Cu(C(8)H(7)O(2))(2)(C(10)H(8)N(2))(H(2)O)]·0.68H(2)O or [Cu(3-mb)(2)(bipy)(H(2)O)]·0.68H(2)O. The coord­ination environment of Cu(II) is a distorted octa­hedron. The metal atom is attached to two 3-mb moieties, which bind in monodentate and bidentate fashions. One of the 3-mb units is disordered. The coordination environment is completed by one bipy ligand and a water mol­ecule. A second water mol­ecule is outside the coordination sphere of the Cu(II) atom and its occupancy refined to 0.68. The structure consists of chains along the b-axis direction formed by complex units joined via hydrogen bonds between the coordinated water mol­ecule and an O atom of a coordinated 3-mb unit. Hirshfeld surface analysis indicates that the most abundant contacts are H⋯H (56.8%), H⋯C/C⋯H (21.7%) and H⋯O/O⋯H (13.7%).
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spelling pubmed-104835522023-09-08 Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands Qadir, Adnan Acta Crystallogr E Crystallogr Commun Research Communications 3-Methyl­benzoic acid (3-mbH) and 2,2′-bi­pyridine (bipy) reacted with a cop­per(II) salt forming a new mixed ligand complex, aqua­(2,2′-bi­pyridine-κ(2) N,N′)bis­(3-methyl­benzoato)-κ(2) O,O′;κO-copper(II) 0.68-hydrate, [Cu(C(8)H(7)O(2))(2)(C(10)H(8)N(2))(H(2)O)]·0.68H(2)O or [Cu(3-mb)(2)(bipy)(H(2)O)]·0.68H(2)O. The coord­ination environment of Cu(II) is a distorted octa­hedron. The metal atom is attached to two 3-mb moieties, which bind in monodentate and bidentate fashions. One of the 3-mb units is disordered. The coordination environment is completed by one bipy ligand and a water mol­ecule. A second water mol­ecule is outside the coordination sphere of the Cu(II) atom and its occupancy refined to 0.68. The structure consists of chains along the b-axis direction formed by complex units joined via hydrogen bonds between the coordinated water mol­ecule and an O atom of a coordinated 3-mb unit. Hirshfeld surface analysis indicates that the most abundant contacts are H⋯H (56.8%), H⋯C/C⋯H (21.7%) and H⋯O/O⋯H (13.7%). International Union of Crystallography 2023-08-15 /pmc/articles/PMC10483552/ /pubmed/37693670 http://dx.doi.org/10.1107/S2056989023006904 Text en © Adnan Qadir 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Qadir, Adnan
Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
title Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
title_full Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
title_short Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
title_sort synthesis, crystal structure and hirshfeld surface analysis of a copper(ii) complex involving 3-methyl­benzoate and 2,2′-bi­pyridine ligands
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483552/
https://www.ncbi.nlm.nih.gov/pubmed/37693670
http://dx.doi.org/10.1107/S2056989023006904
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