4-[(E)-(2,4-Difluoro-phen-yl)(hydroxy-imino)meth-yl]piperidinium picrate

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• The crystal structure of organic salts provides fundamental insights into molecular interactions and solid-state properties.
• Understanding the packing arrangements and hydrogen bonding networks is essential for predicting and controlling material characteristics.

Purpose of the Study:

• To elucidate the detailed crystal structure of the picrate salt of 4-[(E)-(2,4-difluoro-phenyl)(hydroxy-imino)methyl]piperidine.
• To analyze the conformation of the cation and anion, including substituent orientations and potential disorder.
• To investigate the hydrogen bonding interactions and their role in the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Crystallographic data analysis was performed to identify molecular geometry, bond lengths, angles, and intermolecular interactions.
• Disorder in the fluorine atom positions was modeled and refined.

Main Results:

• The asymmetric unit contains two independent cation-anion pairs.
• The 2,4-difluorophenyl group exhibits positional disorder of one fluorine atom.
• Extensive hydrogen bonding, including dual three-center and bifurcated interactions, was observed, leading to an infinite two-dimensional network along (011).

Conclusions:

• The crystal structure reveals intricate details of molecular arrangement and intermolecular forces in this organic salt.
• The identified hydrogen bonding network plays a critical role in stabilizing the crystal lattice.
• This structural information can serve as a basis for further studies on related compounds and their applications.