Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κ N 1 )bis(2,4,6-trimethylbenzoato-κ O )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 2,4,...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2017-09, Vol.73 (9), p.1348-1352
Hauptverfasser: Hökelek, Tuncer, Aşkın, Gülçin Şefiye, Özkaya, Safiye, Necefoğlu, Hacali
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Sprache:eng
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Zusammenfassung: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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017011690