Aquabis(isonicotinamide-κN1)bis(4-methylbenzoato)-κO;κ2O,O′-cadmium(II) monohydrate

Abstract

In the crystal structure of the title compound, [Cd(C8H7O2)2(C6H6N2O)2(H2O)]·H2O, the CdII cation is coordinated by two 4-methyl­benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol­ecule in a distorted octa­hedral CdN2O4 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 mol­ecule 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 mol­ecules into a supra­molecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π inter­actions involving the pyridine rings also occur in the crystal structure.