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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2023
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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%). |
format | Online Article Text |
id | pubmed-10483552 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT qadiradnan synthesiscrystalstructureandhirshfeldsurfaceanalysisofacopperiicomplexinvolving3methylbenzoateand22bipyridineligands |