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2,4-Dibromo-1,3-dimeth-oxy-5-methyl-benzene.
Summary
This study details the crystal structure of a dibromo organic compound, revealing planar molecules. These molecules form sheets through bromine-bromine interactions and are further connected by pi-pi stacking, influencing crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
- Intermolecular interactions, such as halogen bonding and pi-pi stacking, significantly influence crystal packing and material characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(9)H(10)Br(2)O(2).
- To analyze the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular geometry.
- Identification and quantification of intermolecular interactions (Br...Br and pi-pi stacking) were performed.
Main Results:
- The title compound crystallizes with two molecules in the asymmetric unit, exhibiting near-planar conformations.
- Distinct Br...Br interactions (3.35-3.54 Å) link molecules into sheets.
- π-π interactions (3.59 Å centroid-centroid distance) further connect these sheets, dictating the overall crystal architecture.
Conclusions:
- The crystal structure is primarily stabilized by a combination of Br...Br halogen bonds and π-π stacking interactions.
- The observed packing arrangement suggests potential for specific solid-state properties influenced by these intermolecular forces.
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