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

Sergey Malinkin,Elena V Prisyazhnaya,Anatoliy A Kapshuk,Elzbieta Gumienna-Kontecka,Turganbay S Iskenderov

doi:10.1107/s1600536813017194

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 π–π 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⋯π contacts, forming a three-dimensional network.

Highlights

The title compound, [Ni(C7H6N2O3)(C12H8N2)2]3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water molecules
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-5carboxylate and two N,N0 -chelating phenanthroline molecules
The work presented here continues studies of complexes based on pyrazolate ligands with transition metals, see: Klingele et al (2009); Malinkin et al (2009, 2012a,b,c); Ng et al

Summary

Structure Reports

Crystal data a Department of Chemistry, Kiev National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kiev, Ukraine, bFaculty of Chemistry, University of Wrocław, F. Joliot-Curie Street 14, 50-383 Wrocław, Poland, and cDepartment of Chemistry, Kyiv National University of Construction and Architecture, Povitroflotsky. O—H O, N—H O and O—H N hydrogen bonds involving the solvent water molecules and pyrazole-5carboxylate ligands form layers parallel to the ab plane. These layers are linked further via weak – interactions between two adjacent phenanthroline molecules, with centroid-tocentroid distances in the range 3.886 (2)–4.018 (1) Å, together with C—H contacts, forming a three-dimensional network

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