Dataset Information


Diaqua-bis-(4-meth-oxy-benzoato-?O)bis-(nicotinamide-?N)nickel(II) dihydrate.

ABSTRACT: In the mononuclear title compound, [Ni(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-meth-oxy-benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 7.2?(1)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80?(4)°. An intra-molecular O-H?O hydrogen bond links the uncoordinated water mol-ecule to one of the carboxyl-ate groups. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.


PROVIDER: S-EPMC3007542 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

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