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
Kafkas Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(ESCI dergilerinde yayınlanan tam makale)
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| Dergi Adı | Acta Crystallographica Section E Crystallographic Communications | ||
| Dergi ISSN | 2056-9890 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | Emerging Sources Citation Index | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2018 |
| Cilt / Sayı / Sayfa | 74 / 1 / 245–251 | DOI | 10.1107/S2056989018001494 |
| Makale Linki | http://scripts.iucr.org/cgi-bin/paper?S2056989018001494 | ||
| 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 |