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1-(4-Bromo-phen-yl)-2-(2-chloro-phen-oxy)ethanone
Seema S Shenvi1, Arun M Isloor, Thomas Gerber
1National Institute of Technology-Karnataka, Department of Chemistry, Surathkal, Mangalore 575 025, India.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study details the crystal structure of a halogenated phenyl-oxyethanone derivative. Molecular analysis reveals specific angles between aromatic rings and intermolecular hydrogen bonding in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Phenyl-oxyethanone derivatives are important in organic synthesis.
- Halogenated organic compounds exhibit unique chemical properties.
- Understanding crystal packing is crucial for predicting material behavior.
Purpose of the Study:
- To elucidate the crystal structure of a novel twofold halogenated phenyl-oxyethanone.
- To analyze the spatial arrangement of aromatic rings within the molecule.
- To identify intermolecular interactions governing crystal formation.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Least-squares planes analysis was used to quantify the angle between aromatic rings.
- Analysis of intermolecular contacts (e.g., C-H⋯O) was performed.
Main Results:
- The title compound, C14H10BrClO2, was successfully synthesized and characterized.
- A significant dihedral angle of 71.31(17)° was observed between the two aromatic rings.
- Molecules are interconnected into chains along the b-axis via C-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure provides detailed insights into the solid-state behavior of this halogenated compound.
- The observed molecular geometry and intermolecular interactions are key factors in its crystalline form.
- This structural data can inform future design of related organic materials.
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