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(E)-3-(9-Hexyl-9H-carbazol-3-yl)acrylic acid
Wan Sun1, Wen-Mo Liu1, Sheng-Li Li1
1Department of Chemistry, Anhui University, Hefei 230039, People's Republic of China ; Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230039, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|September 25, 2014
Summary
This study details the crystal structure of a carbazole derivative (C21H23NO2). The hexyl group exhibits an extended conformation, and molecules form supramolecular chains via hydrogen bonding and pi-pi stacking.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Carbazole derivatives are important in materials science and medicinal chemistry.
- Understanding molecular conformation and intermolecular interactions is key to designing functional materials.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of a specific carbazole derivative (C21H23NO2).
- To characterize the conformational preferences of the hexyl group and the self-assembly behavior in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding and π-π stacking interactions was conducted.
Main Results:
- The hexyl group adopts an extended conformation, nearly perpendicular to the carbazole ring system (dihedral angle ~78.9°).
- Molecules form inversion dimers through O-H⋯O hydrogen bonds.
- Supramolecular chains are formed along the b-axis via π-π stacking between carbazole rings.
Conclusions:
- The study provides detailed structural insights into a carbazole derivative.
- The observed hydrogen bonding and π-π stacking interactions dictate the formation of extended supramolecular architectures in the solid state.
Keywords:
crystal structure