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Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ N 1 )bis-(2,4,6-tri-methyl-benzoato-κ 2 O , O ')cadmium(II).
Acta Crystallographica. Section E, Crystallographic Communications 2018 Februrary 2
The asymmetric unit of the title complex, [Cd(C10 H11 O2 )2 (C6 H6 N2 O)2 (H2 O)], contains one half of the complex mol-ecule, 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 carboxyl-ate O atoms of the two symmetry-related 2,4,6-tri-methyl-benzoate (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 penta-gonal arrangement, while the distorted penta-gonal-bipyramidal coordin-ation 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, mol-ecules are linked via inter-molecular 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%) inter-actions.
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