Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-jN¹)bis(2,4,6-trimethyl-benzoato-j²O,O⁰)cadmium(II)

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 R²₂(12), R³₃(8), R³₃(14), R³₃(16), R³₃(20), R³₃(22), R⁴₄(22), R⁵₅(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.