Abstract
In the title complex, [Ni2(C13H11F2N6O)2(C2H3O2)2]·0.5CH3OH, there are two half-molecules in the asymmetric unit. The two centrosymmetrically related NiII atoms, each attached to an acetate ligand, are linked by two fluconazole ligands. Each NiII atom is six-coordinated in a distorted octahedral geometry by two N atoms of the triazole groups and two bridging O atoms from two different fluconazole ligands and two O atoms from a chelating acetate ligand. In the crystal structure, the half-occupied methanol solvent molecule is linked to a triazole group via an O—H⋯N hydrogen bond.
Highlights
In the title complex, [Ni2(C13H11F2N6O)2(C2H3O2)2]0.5CH3OH, there are two half-molecules in the asymmetric unit
The two centrosymmetrically related NiII atoms, each attached to an acetate ligand, are linked by two fluconazole ligands
NiII atom is six-coordinated in a distorted octahedral geometry by two N atoms of the triazole groups and two bridging O atoms from two different fluconazole ligands and two O atoms from a chelating acetate ligand
Summary
Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.007 Å; disorder in solvent or counterion; R factor = 0.043; wR factor = 0.127; data-toparameter ratio = 12.3. In the title complex, [Ni2(C13H11F2N6O)2(C2H3O2)2]0.5CH3OH, there are two half-molecules in the asymmetric unit. The two centrosymmetrically related NiII atoms, each attached to an acetate ligand, are linked by two fluconazole ligands. NiII atom is six-coordinated in a distorted octahedral geometry by two N atoms of the triazole groups and two bridging O atoms from two different fluconazole ligands and two O atoms from a chelating acetate ligand. The half-occupied methanol solvent molecule is linked to a triazole group via an O—H N hydrogen bond
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