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Bis[μ-3-(pyridin-2-yl)pyrazolato]bis-[acetato-(3,5-dimethyl-1 H -pyrazole)-nickel(II)].

Thangamuniyandi PilavadiSoundararajan KrishnanNagarajan Loganathan
Published in: IUCrData (2024)
The title compound, [Ni 2 (C 8 H 6 N 3 ) 2 (C 2 H 3 O 2 ) 2 (C 5 H 8 N 2 ) 2 ] or [Ni( μ -OOCCH 3 )(2-PyPz)(Me 2 PzH)] 2 ( 1 ) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me 2 PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH 3 ) 2 ·4H 2 O, 2-PyPzH, Me 2 PzH and tri-ethyl-amine as a base. Compound 1 {[Ni 2 (C 30 H 34 N 10 Ni 2 O 4 )]} at 100 K has monoclinic ( P 2 1 / n ) symmetry and the mol-ecules have crystallographic inversion symmetry. Mol-ecules of 1 comprise an almost planar dinuclear Ni II core with an N 4 O 2 coordination environment. The equatorial plane consists of N 3 ,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me 2 PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitro-gen atom of a deprotonated 2-PyPz ligand. Compound 1 exhibits various inter- and intra-molecular C-H⋯O and N-H⋯O hydrogen bonds.
Keyphrases
  • metal organic framework
  • transition metal
  • molecular docking
  • ionic liquid
  • molecular dynamics
  • magnetic resonance imaging
  • computed tomography
  • magnetic resonance
  • single molecule
  • carbon nanotubes
  • oxide nanoparticles