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Trans-Diaqua-bis-(4-fluoro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

ABSTRACT: In the mononuclear Ni(II) title complex, [Ni(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Ni(II) atom, located on an inversion center, is coordinated by two nicotinamide and two 4-fluoro-benzoate ligands and two water mol-ecules in a distorted N(2)O(4) octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 8.95 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 75.01 (7)°. The water mol-ecule links the adjacent carboxyl-ate O atom via an intra-molecular O-H⋯O hydrogen bond. In the crystal, O-H⋯O, N-H⋯O, C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. π-π stacking between parallel pyridine rings [centroid-centroid distance = 3.7287 (11) Å] is also observed.

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3247555 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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trans-Diaqua-bis-(4-fluoro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Necefoğlu Hacali H Oztürk Vijdan V Ozbek Füreya Elif FE Adıgüzel Vedat V Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the mononuclear Ni(II) title complex, [Ni(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Ni(II) atom, located on an inversion center, is coordinated by two nicotinamide and two 4-fluoro-benzoate ligands and two water mol-ecules in a distorted N(2)O(4) octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 8.95 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 75.01 (7)°. The water mol-ecule links the a ...[more]

PMID: 22219860

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