Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-di-aqua-[2,5-bis-(pyridin-4-yl)-1,3,4-oxa-diazole]di-thio-cyanato-nickel(II).
Ferdaousse RhoufalFouad BentissSalaheddine GuesmiEl Mostafa KetatniMohamed SaadiLahcen El AmmariPublished in: Acta crystallographica. Section E, Crystallographic communications (2019)
The reaction of 2,5-bis-(pyridin-4-yl)-1,3,4-oxa-diazole (4-pox) and thio-cyanate 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 octa-hedrally 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 mol-ecules. In the crystal, the mol-ecules are linked into a three-dimensional network through strong O-H⋯N hydrogen bonds. Hirshfeld surface analysis was used to investigate the inter-molecular inter-actions in the crystal packing.
Keyphrases
- crystal structure
- acinetobacter baumannii
- klebsiella pneumoniae
- ionic liquid
- metal organic framework
- quantum dots
- biofilm formation
- molecular docking
- multidrug resistant
- oxide nanoparticles
- molecular dynamics
- aqueous solution
- escherichia coli
- drug resistant
- water soluble
- pseudomonas aeruginosa
- solid state
- cystic fibrosis
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- single molecule
- candida albicans