Dataset Information


Tetra-aqua-bis(isonicotinamide-?N)nickel(II) bis-(4-formyl-benzoate) dihydrate.

ABSTRACT: The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 8.14?(11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46?(6)°. In the crystal structure, O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751?(1)?Å] may further stabilize the crystal structure.


PROVIDER: S-EPMC2970033 | BioStudies | 2009-01-01

REPOSITORIES: biostudies

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