trans-Dimethanolbis(1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato)zinc(II)

trans-Dimethanolbis(1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato)zinc(II)

2009 | Gerald O. Hunter, Matthias Zeller and Brian D. Leskiw
The title compound, [Zn(C8H10F3O2)2(CH3OH)2], is a dimethanol coordinated zinc complex with the acetyl acetate derivative 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionate. The bis-β-diketonate complex is isostructural with its Co analogue and is located on a crystallographic inversion center. The complex is octahedral with minimal distortion, and the methanol molecules are in trans positions. The planes of the β-diketonate and the ZnO4 unit are tilted by 18.64 (10)° against each other. O–H··O hydrogen bonds between the methanol hydroxyl groups and neighboring diketonate O atoms create chains running along [100]. The compound was synthesized by reacting the ligand with ZnCl2 in aqueous solution and NH4OH. The structure was refined using X-ray crystallography, with the hydroxyl H atoms located in a difference density Fourier map and other H atoms placed in calculated positions. The refinement showed that the coordination environment of the central zinc cation is octahedral with only slight distortion. The packing of the molecules is assisted by hydrogen bonds between the methanol hydroxyl groups and diketonate oxygen atoms of neighboring molecules. The compound was re-crystallized from a concentrated methanolic solution. The structure was determined at 100 K, with a mean σ(C-C) of 0.005 Å, R factor of 0.052, and wR factor of 0.114. The data-to-parameter ratio was 18.4. The compound has potential applications in catalysis, carbon-nanotube structures, and the deposition of metallic or ceramic thin films. The structure is similar to the Co analogue, with a similar tilt angle between the diketonate ligand planes and the ZnO4 unit. The compound is a promising candidate for further study due to its unique properties and potential applications.The title compound, [Zn(C8H10F3O2)2(CH3OH)2], is a dimethanol coordinated zinc complex with the acetyl acetate derivative 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionate. The bis-β-diketonate complex is isostructural with its Co analogue and is located on a crystallographic inversion center. The complex is octahedral with minimal distortion, and the methanol molecules are in trans positions. The planes of the β-diketonate and the ZnO4 unit are tilted by 18.64 (10)° against each other. O–H··O hydrogen bonds between the methanol hydroxyl groups and neighboring diketonate O atoms create chains running along [100]. The compound was synthesized by reacting the ligand with ZnCl2 in aqueous solution and NH4OH. The structure was refined using X-ray crystallography, with the hydroxyl H atoms located in a difference density Fourier map and other H atoms placed in calculated positions. The refinement showed that the coordination environment of the central zinc cation is octahedral with only slight distortion. The packing of the molecules is assisted by hydrogen bonds between the methanol hydroxyl groups and diketonate oxygen atoms of neighboring molecules. The compound was re-crystallized from a concentrated methanolic solution. The structure was determined at 100 K, with a mean σ(C-C) of 0.005 Å, R factor of 0.052, and wR factor of 0.114. The data-to-parameter ratio was 18.4. The compound has potential applications in catalysis, carbon-nanotube structures, and the deposition of metallic or ceramic thin films. The structure is similar to the Co analogue, with a similar tilt angle between the diketonate ligand planes and the ZnO4 unit. The compound is a promising candidate for further study due to its unique properties and potential applications.
Reach us at info@study.space