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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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Detalles Bibliográficos
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
Descripción
Sumario: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.