N'-[(1E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-3-carbohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• The specific arrangement of atoms and functional groups dictates a compound's physical and chemical properties.

Purpose of the Study:

• To elucidate the detailed three-dimensional structure of the title compound, C14H12FN3O.
• To investigate the conformational preferences and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Conformational analysis was performed based on the determined atomic coordinates.

Main Results:

• The compound adopts an E conformation around the azomethine double bond and a Z conformation for N and methyl C atoms.
• A non-planar molecular geometry was observed with a dihedral angle of 7.44° between benzene rings.
• A bifurcated N-H⋯(O,N) hydrogen bond forms chains along the b-axis.
• The fluorine atom on the phenyl ring is disordered over two positions.

Conclusions:

• The crystal structure is stabilized by intermolecular hydrogen bonding, leading to chain formation.
• The observed disorder of the fluorine atom suggests potential for polymorphism or dynamic behavior in the solid state.
• The study provides fundamental insights into the structure-property relationships of this fluorinated organic compound.