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Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κ iN/i sup1/sup )bis(2,4,6-trimethylbenzoato-κ iO/i )zinc     
Yazarlar
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Gülçin Şefiye Aşkın
Türkiye
Safiye Özkaya
Türkiye
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Özet
The asymmetric unit of the title complex, [Zn(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex molecule, and the ZnII cation and the water O atom lie on a twofold rotation axis. The ZnII 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.
Anahtar Kelimeler
crystal structure | zinc | transition metal complex of benzoic acid and nicotinamide derivatives
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayımlanan tam makale
Dergi Adı ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Dergi ISSN 2056-9890
Dergi Tarandığı Indeksler ESCI: Emerging Sources Citation Index
Makale Dili İngilizce
Basım Tarihi 09-2017
Cilt No 73
Sayı 9
Sayfalar 1348 / 1352
Doi Numarası 10.1107/S2056989017011690
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S2056989017011690