title: (3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxyl-ato)bis-(1,10-phenanthroline)nickel(II) 3.5-hydrate.
abstract: The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water mol-ecules. One of the water mol-ecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of Ni(II) has a slightly distorted octa-hedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelating pyrazol-1-ide-5-carboxyl-ate and two N,N'-chelating phenanthroline mol-ecules. In the crystal, O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds involving the solvent water mol-ecules and pyrazole-5-carboxyl-ate ligands form layers parallel to the ab plane. These layers are linked further via weak π-π inter-actions between two adjacent phenanthroline mol-ecules, 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.
authors.affiliation: Department of Chemistry, Kiev National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kiev, Ukraine.
authors.forename: Sergey
authors.initials: S
authors.lastname: Malinkin
authors.forename: Anatoliy A
authors.initials: AA
authors.lastname: Kapshuk
authors.forename: Elzbieta
authors.initials: E
authors.lastname: Gumienna-Kontecka
authors.forename: Elena V
authors.initials: EV
authors.lastname: Prisyazhnaya
authors.forename: Turganbay S
authors.initials: TS
authors.lastname: Iskenderov
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