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Crystal structure and Hirshfeld surface analysis of bis-{( Z )- N '-[( E )-(furan-2-yl)methyl-idene]carbamo-hydrazono-thio-ato}nickel(II) methanol disolvate.

Asmet N AzizovaGunay Z MammadovaSevim Türktekin ÇelikesirMehmet AkkurtAjaya Bhattarai
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
In the title complex, [Ni(C 6 H 6 N 3 OS) 2 ]·2CH 3 OH, the Ni II atom is coordinated by the S and N atoms of two N '-[( Z )-(furan-2-yl)methyl-idene]carbamohydrazono-thioic acid ligands in a distorted square-planar geometry. The two mutual ligands bound to Ni II are also connected by C-H⋯S inter-actions, while the H atoms of the NH 2 group of the ligands form R 4 4 (8) motifs with the O atoms of the solvent ethyl alcohol mol-ecules. At the same time, the OH groups of the solvent ethyl alcohol mol-ecules form parallel layers to the (011) plane by the O-H⋯N inter-actions with the ligand N atom that is not bonded to the Ni II atom.. The layers are connected by van der Waals inter-actions. A Hirshfeld surface analysis indicates that the most important contacts are H⋯H (37.7%), C⋯H/H⋯C (14.6%), O⋯H/H⋯O (11.5%) and S⋯H/H⋯S (10.6%).
Keyphrases
  • crystal structure
  • ionic liquid
  • molecular dynamics
  • metal organic framework
  • room temperature
  • solar cells
  • transition metal
  • alcohol consumption