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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...

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Autores principales: 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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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.
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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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