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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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 |
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. |
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