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1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one
Lei Wang1, Yong Zhang, Cheng-Rong Lu
1Department of Chemistry, Suzhou University, Suzhou 215006, People's Republic of China.
Acta Crystallographica. Section C, Crystal Structure Communications
|September 4, 2004
Summary
This study details the crystal structure of a brominated organic compound, C16H13BrO. The research reveals unique molecular arrangements and hydrogen bonding patterns, including C-H...pi and C-H...Br interactions, forming layered structures.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
- The study of halogenated organic compounds provides insights into structure-property relationships.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C16H13BrO.
- To investigate the conformational preferences and intermolecular interactions governing its crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
- Analysis of non-covalent interactions, including hydrogen bonding and van der Waals forces, was performed.
Main Results:
- The molecule exhibits a non-planar conformation with opposing rotations of benzene rings around the central C-C=C-C core.
- Crystal structure reveals molecular pairing via C-H...pi interactions.
- Co-operative hydrogen bonds in the 'bay area' form molecular chains, further organized into (010) layers through C-H...Br interactions.
Conclusions:
- The crystal packing of C16H13BrO is dictated by a combination of C-H...pi, C-H...Br, and van der Waals interactions.
- The study highlights the role of specific hydrogen bonding motifs in directing the formation of extended molecular architectures.