2-Eth-oxy-6-{(E)-[(4-methyl-phen-yl)imino]-meth-yl}phenol

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystallographic studies provide fundamental insights into molecular conformation and intermolecular interactions.
• The title compound, C(16)H(17)NO(2), represents a specific molecular architecture with potential applications in materials science or medicinal chemistry.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(16)H(17)NO(2).
• To analyze the dihedral angles between the benzaldehyde and toluidine moieties within the asymmetric unit.
• To identify and characterize hydrogen bonding and other intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• The asymmetric unit was analyzed to understand the packing and interactions of the molecules.
• Geometric parameters, including dihedral angles and hydrogen bond distances, were calculated.

Main Results:

• The asymmetric unit contains two molecules of C(16)H(17)NO(2).
• Dihedral angles between the 3-ethoxy-2-hydroxy-benzaldehyde and toluidine moieties were measured as 16.87(8)° and 19.93(6)°.
• Intramolecular O-H⋯N hydrogen bonds form S(6) rings in both molecules, and one molecule forms dimers via C-H⋯O interactions, creating an R(2)(2)(8) loop.

Conclusions:

• The crystal structure of C(16)H(17)NO(2) has been successfully determined.
• The study reveals specific conformational preferences and the presence of significant intra- and intermolecular interactions.
• These findings contribute to the understanding of structure-property relationships in this class of organic compounds.