(E)-4-[(4-Bromo-phen-yl)imino-meth-yl]-2-meth-oxy-phenol

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise details on molecular geometry, conformation, and intermolecular interactions.
• The title compound, C(14)H(12)BrNO(2), is a molecule of interest for its potential applications.

Purpose of the Study:

• To determine the precise crystal structure of the title compound, C(14)H(12)BrNO(2).
• To elucidate the molecular conformation and intermolecular interactions within the crystal lattice.
• To provide a detailed description of the compound's solid-state structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic software.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular interactions was performed.

Main Results:

• The crystal structure of C(14)H(12)BrNO(2) was successfully determined.
• A dihedral angle of 37.87(10)° was observed between the two aromatic rings.
• The molecule adopts an E conformation about the central C=N bond.
• Intermolecular O-H⋯N hydrogen bonds link molecules into zigzag chains along the b axis.
• C-H⋯O interactions were also identified as significant in the crystal packing.

Conclusions:

• The crystal structure provides definitive information on the solid-state conformation and packing of C(14)H(12)BrNO(2).
• The observed hydrogen bonding network significantly influences the molecular arrangement and stability in the crystal.
• These structural insights are valuable for understanding the compound's physical properties and potential for further chemical modification.