2-[(E)-(5-Chloro-2-methyl-phen-yl)imino-meth-yl]-4-methyl-phenol

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Schiff base compounds are versatile organic molecules with diverse applications.
• Understanding the solid-state structure is crucial for predicting material properties.
• Intermolecular interactions dictate crystal packing and supramolecular architecture.

Purpose of the Study:

• To elucidate the crystal structure of the Schiff base compound C15H14ClNO.
• To investigate the molecular conformation, including dihedral angles and hydrogen bonding.
• To identify and characterize the intermolecular forces responsible for crystal assembly.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed.
• The crystal structure was solved and refined.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular interactions (hydrogen bonds, C-H⋯π interactions) was conducted.

Main Results:

• The crystal structure of C15H14ClNO was determined.
• A significant dihedral angle of 35.0(3)° was observed between the two benzene rings.
• An intramolecular O-H⋯N hydrogen bond was identified, along with weak C-H⋯π interactions linking molecules into supramolecular chains along the a-axis.

Conclusions:

• The study provides a detailed structural characterization of the Schiff base compound.
• The observed molecular conformation and intermolecular interactions explain the formation of supramolecular chains in the crystal.
• This structural information can guide the design of new materials with tailored properties.