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Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl(2)(C(12)H(10)N(2))(H(2)O)]·H(2)O. The Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001833/ https://www.ncbi.nlm.nih.gov/pubmed/32071738 http://dx.doi.org/10.1107/S2056989019017213 |
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author | Molano, Miguel F. Lorett Velasquez, Vaneza P. Erben, Mauricio F. Nossa González, Diana L. Loaiza, Alix E. Echeverría, Gustavo A. Piro, Oscar E. Tobón, Yeny A. Ben Tayeb, Karima Gómez Castaño, Jovanny A. |
author_facet | Molano, Miguel F. Lorett Velasquez, Vaneza P. Erben, Mauricio F. Nossa González, Diana L. Loaiza, Alix E. Echeverría, Gustavo A. Piro, Oscar E. Tobón, Yeny A. Ben Tayeb, Karima Gómez Castaño, Jovanny A. |
author_sort | Molano, Miguel F. |
collection | PubMed |
description | The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl(2)(C(12)H(10)N(2))(H(2)O)]·H(2)O. The Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules. The molecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT–IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing. |
format | Online Article Text |
id | pubmed-7001833 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-70018332020-02-18 Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate Molano, Miguel F. Lorett Velasquez, Vaneza P. Erben, Mauricio F. Nossa González, Diana L. Loaiza, Alix E. Echeverría, Gustavo A. Piro, Oscar E. Tobón, Yeny A. Ben Tayeb, Karima Gómez Castaño, Jovanny A. Acta Crystallogr E Crystallogr Commun Research Communications The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl(2)(C(12)H(10)N(2))(H(2)O)]·H(2)O. The Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules. The molecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT–IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing. International Union of Crystallography 2020-01-07 /pmc/articles/PMC7001833/ /pubmed/32071738 http://dx.doi.org/10.1107/S2056989019017213 Text en © Molano et al. 2020 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Molano, Miguel F. Lorett Velasquez, Vaneza P. Erben, Mauricio F. Nossa González, Diana L. Loaiza, Alix E. Echeverría, Gustavo A. Piro, Oscar E. Tobón, Yeny A. Ben Tayeb, Karima Gómez Castaño, Jovanny A. Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate |
title | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate |
title_full | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate |
title_fullStr | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate |
title_full_unstemmed | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate |
title_short | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate |
title_sort | crystal structure, spectroscopic characterization and hirshfeld surface analysis of aquadichlorido{n-[(pyridin-2-yl)methylidene]aniline}copper(ii) monohydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001833/ https://www.ncbi.nlm.nih.gov/pubmed/32071738 http://dx.doi.org/10.1107/S2056989019017213 |
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