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Crystal structure of trans-di-aqua-bis-(1H-pyrazole-3-carboxyl-ato-?(2) N,O)copper(II) dihydrate.

ABSTRACT: In the title compound, [Cu(C4H3N2O2)2(H2O)2]·2H2O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa-hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl-ate ligands in a trans configuration. The axial positions are occupied by two water mol-ecules. The mononuclear complex mol-ecules are arranged in layers parallel to the ab plane. Each complex mol-ecule is linked to four adjacent species through inter-molecular O-H?O and N-H?O hydrogen bonds that are established between the coordinating water mol-ecules and carboxyl-ate 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 mol-ecules and non-coordinating carboxyl-ate O atoms.

SUBMITTER: Reinoso S 

PROVIDER: S-EPMC4719849 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of trans-di-aqua-bis-(1H-pyrazole-3-carboxyl-ato-κ(2) N,O)copper(II) dihydrate.

Reinoso Santiago S   Artetxe Beñat B   Castillo Oscar O   Luque Antonio A   Gutiérrez-Zorrilla Juan M JM  

Acta crystallographica. Section E, Crystallographic communications 20151121 Pt 12

In the title compound, [Cu(C4H3N2O2)2(H2O)2]·2H2O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa-hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl-ate ligands in a trans configuration. The axial positions are occupied by two water mol-ecules. The mononuclear complex mol-ecules are arranged in layers parallel to the ab plane. Each complex mol-ecule is linked to four adjacent species through inter-mole  ...[more]

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