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Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN1)bis­(2,4,6-tri­methyl­benzoato-κ2O,O′)cadmium(II)       
Yazarlar
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Safiye Özkaya
Türkiye
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Özet
The asymmetric unit of the title complex, [Cd(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex molecule, 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 carboxylate O atoms of the two symmetry-related 2,4,6-trimethylbenzoate (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 pentagonal arrangement, while the distorted pentagonal-bipyramidal coordination 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, molecules are linked via intermolecular N-H O, O-H O and C-H O hydrogen bonds with R22(12), R33(8), R33(14), R33(16), R33(20), R33(22), R44(22), R55(16), R66(16) and R66(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%) interactions.
Anahtar Kelimeler
crystal structure | cadmium(II) | transition metal complexes 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 Emerging Sources Citation Index
Makale Dili İngilizce
Basım Tarihi 02-2018
Cilt No 74
Sayı 2
Sayfalar 246 / 0
Doi Numarası 10.1107/S2056989018001494
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S2056989018001494