Title of article :
Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II)
Author/Authors :
Rhoufal, Ferdaousse Laboratoire de Chimie de Coordination et d'Analytique - Faculté des Sciences -Université Chouaib Doukkali, Morocco , Bentiss, Fouad Laboratoire de Catalyse et de Corrosion de Matériaux (LCCM) - Faculté des Sciences - Université Chouaib Doukkali, Morocco , Guesmi, Salaheddine Laboratoire de Chimie de Coordination et d'Analytique - Faculté des Sciences -Université Chouaib Doukkali, Morocco , Ketatni, El Mostafa Laboratory of Organic and Analytical Chemistry - University Sultan Moulay Slimane - Faculty of Science and Technology, Morocco , Saadi, Mohamed Laboratoire de Chimie Appliquée des Matériaux - Centre des Sciences des Matériaux, Faculty of Sciences - Mohammed V University in Rabat, Morocco , Ammari, Lahcen El Laboratoire de Chimie Appliquée des Matériaux - Centre des Sciences des Matériaux, Faculty of Sciences - Mohammed V University in Rabat, Morocco
Abstract :
The reaction of 2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole (4-pox) and thiocyanate ions, used as co-ligand with nickel salt NiCl2·6H2O, produced the title complex, [Ni(NCS)2(C12H8N4O)2(H2O)2]. The NiII atom is located on an inversion centre and is octahedrally coordinated by four N atoms from two ligands and two pseudohalide ions, forming the equatorial plane. The axial positions are occupied by two O atoms of coordinated water molecules. In the crystal, the molecules are linked into a three-dimensional network through strong O—H⋯N hydrogen bonds. Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing.
Keywords :
coordination complex , crystal structure , 1,3,4-oxadiazole , thiocyanate , spectroscopy , hydrogen bonds , Hirshfeld analysis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
