Diaquabis(4-methylbenzoato-κ O )bis(nicotinamide-κ N 1 )nickel(II)

The title NiII complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the eq...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-04, Vol.66 (4), p.m361-m362
Hauptverfasser: Necefoğlu, Hacali, Çimen, Efdal, Tercan, Barış, Ermiş, Emel, Hökelek, Tuncer
Format: Artikel
Sprache:eng
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Zusammenfassung:The title NiII complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H...π interaction involving the pyridine ring also occurs.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810007385