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Crystal structure and Hirshfeld surface analysis of aqua­bis­(nicotinamide-κN1)bis­(2,4,6-tri­methyl­benzoato-κ2O,O′)cadmium(II)       
Yazarlar (3)
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Safiye Özkaya
Türkiye
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Devamını Göster
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 / 251
Doi Numarası 10.1107/S2056989018001494
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S2056989018001494