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Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-di­aqua­[2,5-bis­(pyridin-4-yl)-1,3,4-oxa­diazole]di­thio­cyanato­nickel(II)

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 NiCl(2)·6H(2)O, produced the title complex, [Ni(NCS)(2)(C(12)H(8)N(4)O)(2)(H(2)O)(2)]. The Ni(II) atom is located on an inversion centre and is octa­hedrally coordinated by four...

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Detalles Bibliográficos
Autores principales: Rhoufal, Ferdaousse, Bentiss, Fouad, Guesmi, Salaheddine, Ketatni, El Mostafa, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659318/
https://www.ncbi.nlm.nih.gov/pubmed/31392022
http://dx.doi.org/10.1107/S2056989019008727
Descripción
Sumario: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 NiCl(2)·6H(2)O, produced the title complex, [Ni(NCS)(2)(C(12)H(8)N(4)O)(2)(H(2)O)(2)]. The Ni(II) 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.