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Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate

In the title compound, [Cu(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)]·2H(2)O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa­hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl­ate ligands in a trans configuration. Th...

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Autores principales: Reinoso, Santiago, Artetxe, Beñat, Castillo, Oscar, Luque, Antonio, Gutiérrez-Zorrilla, Juan M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719849/
https://www.ncbi.nlm.nih.gov/pubmed/26870440
http://dx.doi.org/10.1107/S2056989015021593
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author Reinoso, Santiago
Artetxe, Beñat
Castillo, Oscar
Luque, Antonio
Gutiérrez-Zorrilla, Juan M.
author_facet Reinoso, Santiago
Artetxe, Beñat
Castillo, Oscar
Luque, Antonio
Gutiérrez-Zorrilla, Juan M.
author_sort Reinoso, Santiago
collection PubMed
description In the title compound, [Cu(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)]·2H(2)O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa­hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl­ate ligands in a trans configuration. The axial positions are occupied by two water mol­ecules. The mononuclear complex mol­ecules are arranged in layers parallel to the ab plane. Each complex mol­ecule is linked to four adjacent species through inter­molecular O—H⋯O and N—H⋯O hydrogen bonds that are established between the coordinating water mol­ecules and carboxyl­ate O atoms or protonated N atoms of the organic ligands. These layers are further connected into a three-dimensional network by additional hydrogen bonds involving solvent water mol­ecules and non-coordinating carboxyl­ate O atoms.
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spelling pubmed-47198492016-02-11 Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate Reinoso, Santiago Artetxe, Beñat Castillo, Oscar Luque, Antonio Gutiérrez-Zorrilla, Juan M. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, [Cu(C(4)H(3)N(2)O(2))(2)(H(2)O)(2)]·2H(2)O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa­hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl­ate ligands in a trans configuration. The axial positions are occupied by two water mol­ecules. The mononuclear complex mol­ecules are arranged in layers parallel to the ab plane. Each complex mol­ecule is linked to four adjacent species through inter­molecular O—H⋯O and N—H⋯O hydrogen bonds that are established between the coordinating water mol­ecules and carboxyl­ate O atoms or protonated N atoms of the organic ligands. These layers are further connected into a three-dimensional network by additional hydrogen bonds involving solvent water mol­ecules and non-coordinating carboxyl­ate O atoms. International Union of Crystallography 2015-11-21 /pmc/articles/PMC4719849/ /pubmed/26870440 http://dx.doi.org/10.1107/S2056989015021593 Text en © Reinoso et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Reinoso, Santiago
Artetxe, Beñat
Castillo, Oscar
Luque, Antonio
Gutiérrez-Zorrilla, Juan M.
Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate
title Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate
title_full Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate
title_fullStr Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate
title_full_unstemmed Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate
title_short Crystal structure of trans-di­aqua­bis­(1H-pyrazole-3-carboxyl­ato-κ(2) N,O)copper(II) dihydrate
title_sort crystal structure of trans-di­aqua­bis­(1h-pyrazole-3-carboxyl­ato-κ(2) n,o)copper(ii) dihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719849/
https://www.ncbi.nlm.nih.gov/pubmed/26870440
http://dx.doi.org/10.1107/S2056989015021593
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