2-Meth-oxy-imino-2-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}ethanol

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• Disordered structures present unique challenges and opportunities in materials design.
• Hydrogen bonding plays a pivotal role in dictating crystal packing and properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(17)H(19)NO(3).
• To analyze the molecular geometry, including dihedral and torsion angles between aromatic rings.
• To investigate the nature of disorder and hydrogen bonding within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Crystallographic refinement was performed to model atomic positions and occupancies.
• Analysis of bond lengths, bond angles, and torsion angles provided geometric insights.
• Identification and analysis of intermolecular hydrogen bonds were conducted.

Main Results:

• The crystal structure of C(17)H(19)NO(3) was successfully determined.
• A significant dihedral angle of 68.0(1)° between the benzene rings was observed.
• The methanol group exhibited positional disorder (0.86/0.14 occupancy), and the hydroxy group showed further disorder.
• O-H⋯N and O-H⋯O hydrogen bonds were identified, forming molecular chains along the [001] direction.

Conclusions:

• The crystal structure of C(17)H(19)NO(3) is characterized by specific aromatic ring orientation and significant disorder in substituent groups.
• The observed disorder is essential for enabling effective intermolecular hydrogen bonding.
• The hydrogen bonding network dictates the formation of one-dimensional chains within the crystal structure.