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2-(2-{2-[2-(Dibromo-meth-yl)phen-oxy]eth-oxy}benz-yloxy)benzaldehyde
Juan Xia1, Xiang Liu, An-Qi Wang
1State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
This study reveals the Z conformation of a C(23)H(20)Br(2)O(4) molecule, driven by intermolecular C-H⋯Br bonding and π-π stacking interactions in its crystal structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
- The role of halogen bonding and π-π stacking influences crystal packing and material properties.
Purpose of the Study:
- To elucidate the crystal structure and conformation of the title compound C(23)H(20)Br(2)O(4).
- To investigate the role of intermolecular interactions, specifically C-H⋯Br bonding and π-π stacking, in stabilizing the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular structure and crystal packing.
- Analysis of geometric parameters, including dihedral angles and interatomic distances, to identify key intermolecular interactions.
Main Results:
- The molecule adopts a Z conformation, stabilized by intermolecular C-H⋯Br hydrogen bonds.
- A significant dihedral angle of 63.0(2)° was observed between the two benzene rings.
- Intermolecular π-π stacking interactions with a centroid-centroid distance of 3.698(4) Å were identified.
Conclusions:
- The crystal structure is characterized by a Z conformation driven by C-H⋯Br bonding.
- Both π-π stacking and C-H⋯Br interactions play a significant role in the observed crystal packing and molecular assembly.
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