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Acta Cryst. (2013). E69, m417-m418  [ doi:10.1107/S1600536813017194 ]

(3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate

S. Malinkin, A. A. Kapshuk, E. Gumienna-Kontecka, E. V. Prisyazhnaya and T. S. Iskenderov

Abstract: The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules. One of the water molecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of NiII has a slightly distorted octahedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxylate and two N,N'-chelating phenanthroline molecules. In the crystal, O-H...O, N-H...O and O-H...N hydrogen bonds involving the solvent water molecules and pyrazole-5-carboxylate ligands form layers parallel to the ab plane. These layers are linked further via weak [pi]-[pi] interactions between two adjacent phenanthroline molecules, with centroid-to-centroid distances in the range 3.886 (2)-4.018 (1) Å, together with C-H...[pi] contacts, forming a three-dimensional network.

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