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Synthesis, structural studies and Hirshfeld surface analysis of 2-[(4-phenyl-1 H -1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexa-kis-(nitrato-κ 2 O , O ')thorate(IV).

Shalini RangarajanSonu SheokandVictoria L BlairGlen B DeaconMaravanji S Balakrishna
Published in: Acta crystallographica. Section E, Crystallographic communications (2024)
Reaction of thorium(IV) nitrate with 2-[(4-phenyl-1 H -1,2,3-triazol-1-yl)meth-yl]pyridine ( L ) yielded ( L H) 2 [Th(NO 3 ) 6 ] or (C 14 H 13 N 4 ) 2 [Th(NO 3 ) 6 ] ( 1 ), instead of the expected mixed-ligand complex [Th(NO 3 ) 4 L 2 ], which was detected in the mass spectrum of 1 . In the structure, the [Th(NO 3 ) 6 ] 2- anions display an icosa-hedral coordination geometry and are connected by L H + cations through C-H⋯O hydrogen bonds. The L H + cations inter-act via N-H⋯N hydrogen bonds. Hirshfeld surface analysis indicates that the most important inter-actions are O⋯H/H⋯O hydrogen-bonding inter-actions, which represent a 55.2% contribution.
Keyphrases
  • crystal structure
  • ionic liquid
  • nitric oxide
  • drinking water
  • visible light
  • transition metal
  • data analysis