4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium picrate

Area of Science:

• Crystallography and structural chemistry.
• Organic chemistry, focusing on heterocyclic compounds.

Background:

• Piperazine derivatives are significant scaffolds in medicinal chemistry.
• Understanding the solid-state structure of organic salts informs material properties and drug design.

Purpose of the Study:

• To determine the crystal structure of the title compound, 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium picrate.
• To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

• Co-crystallisation of the piperazine derivative with picric acid.
• Single-crystal X-ray diffraction analysis to elucidate the three-dimensional structure.

Main Results:

• The compound crystallizes as a picrate salt, with protonation occurring on the secondary amine of the piperazine ring.
• The piperazine heterocycle adopts a chair conformation in the crystal lattice.
• A 3D network is formed via N-H⋯O hydrogen bonds and C-H⋯O contacts between the cation and anion.

Conclusions:

• The study provides detailed structural insights into a fluorinated benzhydryl piperazine picrate salt.
• The observed hydrogen bonding and C-H⋯O contacts are key to the compound's crystal architecture.