4-Chloro-2-[(E)-(4-fluoro-phen-yl)imino-meth-yl]phenol

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Organic chemistry

Background:

• Schiff base molecules are versatile building blocks in supramolecular chemistry.
• Understanding intermolecular interactions is crucial for designing novel materials.

Purpose of the Study:

• To elucidate the crystal structure and supramolecular assembly of the Schiff base molecule C13H9ClFNO.
• To investigate the role of intra- and intermolecular interactions in stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed.
• Analysis of hydrogen bonding and π-π stacking interactions was performed.

Main Results:

• The crystal structure exhibits a dihedral angle of 7.92° between benzene rings.
• An intramolecular O-H⋯N hydrogen bond was identified.
• π-π stacking interactions form infinite chains along the c-axis.
• A 3D supramolecular network is established via C-H⋯O and C-H⋯F hydrogen bonds.

Conclusions:

• The Schiff base molecule C13H9ClFNO self-assembles into a stable 3D supramolecular structure.
• Intermolecular interactions, including hydrogen bonding and π-π stacking, dictate the crystal packing.
• The findings contribute to the understanding of crystal engineering principles for Schiff base derivatives.