Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κ iN/i sup1/sup )bis(2,4,6-trimethylbenzoato-κ iO/i )zinc
Yazarlar (4)
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Gülcin Sȩfiye Asķin
Hacettepe Üniversitesi, Türkiye
Safiye Ö Zkaya
Kafkas Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(ESCI dergilerinde yayınlanan tam makale)
|
||
| Dergi Adı | Acta Crystallographica Section E Crystallographic Communications | ||
| Dergi ISSN | 2056-9890 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | ESCI: Emerging Sources Citation Index | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2017 |
| Cilt / Sayı / Sayfa | 73 / 1 / 1348–1352 | DOI | 10.1107/S2056989017011690 |
| Makale Linki | http://scripts.iucr.org/cgi-bin/paper?S2056989017011690 | ||
| 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 |