Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN1)bis­(246-tri­methyl­benzoato-κ2OO′)cadmium(II)

摘要

The asymmetric unit of the title complex, [Cd(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex mol­ecule, with the Cd^II cation and the coordinated water O atom residing on a twofold rotation axis. The Cd^II cation is coordinated in a bidentate manner to the carboxyl­ate O atoms of the two symmetry-related 2,4,6-tri­methyl­benzoate (TMB) anions and to the water O atom at distances of 2.297 (2), 2.527 (2) and 2.306 (3) Å to form a distorted penta­gonal arrangement, while the distorted penta­gonal–bipyramidal coordin­ation sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.371 (3) Å in the axial positions. In the crystal, mol­ecules are linked via inter­molecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds with R 2 ²(12), R 3 ³(8), R 3 ³(14), R 3 ³(16), R 3 ³(20), R 3 ³(22), R 4 ⁴(22), R ₅ ⁵(16), R₆⁶(16) and R₆⁶(18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are H⋯H (56.9%), H⋯C/C⋯H (21.3%) and H⋯O/O⋯H (19.0%) inter­actions.