3,9-Dibromo-5,7-dihydro-dibenzo[c,e]oxepine

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Biphenyl derivatives are important in various chemical applications.
• Understanding molecular conformation is crucial for predicting chemical properties and reactivity.
• The 2,2'-position linkage in biphenyls often leads to non-planar structures.

Purpose of the Study:

• To synthesize and characterize a novel biphenyl derivative.
• To elucidate the three-dimensional molecular structure and conformation of the title compound.
• To investigate the crystallographic symmetry of the molecule.

Main Methods:

• Synthesis of the C(14)H(10)Br(2)O compound.
• Single-crystal X-ray diffraction analysis to determine molecular geometry.
• Analysis of crystallographic data to identify symmetry elements.

Main Results:

• The title compound, a biphenyl derivative, was successfully synthesized.
• X-ray diffraction revealed a twisted conformation with a dihedral angle of 45.02° between benzene rings.
• The central seven-membered ring adopted a boat conformation, and the molecule possesses a crystallographic twofold axis of symmetry.

Conclusions:

• The study provides a detailed structural characterization of a novel biphenyl derivative.
• The observed twisted conformation and boat ring structure are key features of this molecule.
• The presence of a twofold symmetry axis influences the molecule's overall spatial arrangement.