Abstract
In the title compound, [Cu(CH3CO2)2(C9H7N3)(H2O)]n, the CuII ion is pentacoordinated in a square-pyramidal geometry. The N atoms of the two chelating symmetry-related 5-(pyridin-3-yl)pyrimidine ligands and the O atoms of the two monodentate acetate anions are nearly coplanar, with a mean deviation from the least-squares plane of 0.157 (2) Å and the CuII ion is displaced by 0.050 (3) Å from this plane towards the apical water O atom. Bridging through the bis-monodentate 5-(pyridin-3-yl)pyrimidine ligand forms a one-dimensional coordination polymer extending parallel to [010]. In the crystal, O—H⋯O hydrogen bonds link the molecules into a two-dimensional supramolecular structure parallel to (100). The crystal studied was an inversion twin with a 0.57 (3):0.43 (3) domain ratio.
Highlights
The N atoms of the two chelating symmetry-related 5(pyridin-3-yl)pyrimidine ligands and the O atoms of the two monodentate acetate anions are nearly coplanar, with a mean deviation from the least-squares plane of 0.157 (2) Å and the
CuII ion is pentacoordinated in a square-pyramidal geometry
O—H O hydrogen bonds link the molecules into a two-dimensional supramolecular structure parallel to (100)
Summary
R factor = 0.050; wR factor = 0.118; data-to-parameter ratio = 11.4. CuII ion is pentacoordinated in a square-pyramidal geometry. The N atoms of the two chelating symmetry-related 5(pyridin-3-yl)pyrimidine ligands and the O atoms of the two monodentate acetate anions are nearly coplanar, with a mean deviation from the least-squares plane of 0.157 (2) Å and the. CuII ion is displaced by 0.050 (3) Å from this plane towards the apical water O atom. Bridging through the bis-monodentate 5-(pyridin-3-yl)pyrimidine ligand forms a one-dimensional coordination polymer extending parallel to [010]. O—H O hydrogen bonds link the molecules into a two-dimensional supramolecular structure parallel to (100). The crystal studied was an inversion twin with a 0.57 (3): 0.43 (3) domain ratio
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