(3-Acetyl-5-carboxylato-4-methyl-1H-pyrazol-1-ido-κ2 N 1,O 5)aqua[(pyridin-2-yl)methanamine-κ2 N,N′]copper(II)

In the title compound, [Cu(C7H6N2O3)(C6H8N2)(H2O)], the CuII ion is in a distorted square-pyramidal N3O2 environment formed by two bidentate chelating ligands in the equatorial coordination sites and one water molecule in the apical direction. In the crystal, O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds link the complex molecules into a three-dimensional supramolecular network.

Although usually this family of ligands is used for preparation of polynuclear complexes and coordination polymers, the mononuclear complexes based on pyrazole ligands can also represent an evident interest, especially as building block for preparation of polynuclear species. Herein we report the molecular and crystal structures of the title compound ( Fig. 1) obtained in the framework of our synthetic and structural study of unsymmetrical 3,5-disubstituted pyrazolate ligands (Malinkin et al., 2011(Malinkin et al., , 2012.  (Sliva et al., 1997;Kanderal et al., 2005). The bite angles around the central atom deviate from an ideal squareplanar configuration [e.g. N1-Cu1-O2 = 82.74 (3)°], which is a consequence of the formation of five-membered chelate rings.
Numerous intermolecular O-H···O, N-H···O and O-H···N H-bonds in which the water molecules and the amine groups act as donors while the carboxylic groups, the water oxygen and the pyrazole nitrogen atoms act as acceptors unite the complex molecules in three-dimensional H-bonded network (Fig. 2).

Experimental
To the solution of [Cu 4 (KA) 4

Refinement
The OH and NH hydrogen atoms were located from the difference Fourier map, and their positional and isotropic thermal parameters were included into the further stages of refinement. The C-H hydrogen atoms were positioned geometrically and were constrained to ride on their parent atoms, with C-H = 0.95-0.97 Å, and U iso = 1.2-1.5 U eq (parent atom).

(3-Acetyl-5-carboxylato-4-methyl-1H-pyrazol-1-ido-κ 2 N 1 ,O 5 )aqua[(pyridin-2-yl)methanamineκ 2 N,N′]copper(II)
Crystal data [Cu(C 7  where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.004 Δρ max = 0.72 e Å −3 Δρ min = −0.32 e Å −3 Special details Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.