Aqua-bis(isonicotinamide-?N)bis-(4-methyl-benzoato)-?O;?O,O'-cadmium(II) monohydrate.

ABSTRACT: In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl-benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol-ecule in a distorted octa-hedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O-H?O hydrogen bond links the uncoordinated water mol-ecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28?(11) and 21.24?(9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90?(4) and 88.64?(4)°, respectively. In the crystal structure, O-H?O and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. A ?-? contact between the benzene rings [centroid-centroid distance = 3.911?(1)?Å] may further stabilize the crystal structure. Weak C-H?? inter-actions involving the pyridine rings also occur in the crystal structure.

SUBMITTER: Necefoglu H 

PROVIDER: S-EPMC2984084 | biostudies-other | 2010

REPOSITORIES: biostudies-other