Crystal Structure and Hirshfeld Surface Analysis of Aqua­Bis­(Nicotinamide-Κn 1)Bis­(2,4,6-Tri­Methyl­Benzoato-Κ2 O,O′)Cadmium(II)

Abstract

The CdII cation, located on a twofold rotation axis, is coordinated by two 2,4,6-tri­methyl­benzoate anions, two nicotinamide ligands and a water mol­ecule in a distorted penta­gonal–bipyramidal geometry., The asymmetric unit of the title complex, [Cd(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex mol­ecule, with the CdII cation and the coordinated water O atom residing on a twofold rotation axis. The CdII 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), R 6 6(16) and R 6 6(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.