1,1,1,5,5,5-Hexafluoro-2,4-dimeth-oxy-pentane-2,4-diol

Area of Science:

• Inorganic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Tantalum alkoxides are versatile precursors in organometallic chemistry.
• Hexafluoroacetylacetone is a common ligand in coordination chemistry.
• Understanding unexpected reaction products aids in synthetic pathway elucidation.

Purpose of the Study:

• To characterize an unexpected product formed from tantalum(V) methoxide and hexafluoroacetylacetone.
• To determine the crystal structure and intermolecular interactions of the novel compound.
• To elucidate the supramolecular assembly of the synthesized molecule.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
• Analysis of hydrogen bonding (O-H⋯O and C-H⋯F) was performed.
• The packing arrangement of molecules in the solid state was investigated.

Main Results:

• The title compound, C(7)H(10)F(6)O(4), was isolated as an unexpected product.
• The crystal structure features an asymmetric unit containing half a molecule, with a twofold axis.
• The structure is stabilized by a network of O-H⋯O and C-H⋯F hydrogen bonds, forming a 3D supramolecular network.
• Molecules pack in a ribbon-like fashion within the ac plane.

Conclusions:

• The reaction between tantalum(V) methoxide and hexafluoroacetylacetone unexpectedly yields C(7)H(10)F(6)O(4).
• Hydrogen bonding plays a crucial role in stabilizing the crystal structure and directing the supramolecular architecture.
• The observed packing arrangement is a direct consequence of these intermolecular forces.