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Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO)zinc

The asymmetric unit of the title complex, [Zn(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)], contains one half of the complex mol­ecule, and the Zn(II) cation and the water O atom lie on a twofold rotation axis. The Zn(II) cation is coordinated by two carboxyl­ate O atoms of the two symmetry-related...

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Detalles Bibliográficos
Autores principales: Hökelek, Tuncer, Aşkın, Gülçin Şefiye, Özkaya, Safiye, Necefoğlu, Hacali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588578/
https://www.ncbi.nlm.nih.gov/pubmed/28932472
http://dx.doi.org/10.1107/S2056989017011690
Descripción
Sumario:The asymmetric unit of the title complex, [Zn(C(10)H(11)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)], contains one half of the complex mol­ecule, and the Zn(II) cation and the water O atom lie on a twofold rotation axis. The Zn(II) cation is coordinated by two carboxyl­ate O atoms of the two symmetry-related 2,4,6-tri­methyl­benzoate (TMB) anions and by the water O atom at distances of 2.0311 (16) and 2.076 (2) Å to form a slightly distorted trigonal–planar arrangement, while the distorted trigonal–bipyramidal coordination sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.2066 (19) Å in the axial positions. In the crystal, mol­ecules are linked via inter­molecular N—H⋯O and O—H⋯O hydrogen bonds with R (2) (2)(12), R (3) (3)(10) and R (3) (3)(16) ring motifs, forming a double-column structure running along the c-axis direction. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (58.4%), H⋯C/C⋯H (20.3%) and H⋯O/O⋯H (18.3%) inter­actions.