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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4719849 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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