2-[(5-Chloro-pyridin-2-yl-imino)-meth-yl]phenol

Area of Science:

• Crystal engineering
• Organic chemistry
• Solid-state chemistry

Background:

• Understanding intermolecular forces is crucial for designing crystalline materials.
• Hydrogen bonding plays a significant role in molecular self-assembly.
• The study of organic compounds with specific functional groups provides insights into structure-property relationships.

Purpose of the Study:

• To elucidate the crystal structure of the title compound (C12H9ClN2O).
• To investigate the nature and role of intra- and intermolecular interactions.
• To characterize the packing arrangement and hydrogen bonding network in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles.
• Identification and analysis of hydrogen bonding interactions (O-H⋯N, C-H⋯O, C-H⋯N).

Main Results:

• The crystal structure of C12H9ClN2O was determined.
• A small dihedral angle (1.78°) between aromatic rings indicates a nearly planar conformation.
• An intramolecular O-H⋯N hydrogen bond forms an S(6) ring.
• Intermolecular C-H⋯O and C-H⋯N hydrogen bonds link molecules into [001] chains.

Conclusions:

• The title compound exhibits a specific conformation influenced by intramolecular hydrogen bonding.
• The crystal packing is dominated by intermolecular hydrogen bonds, leading to chain formation.
• The findings contribute to the understanding of crystal engineering principles for organic molecules.