9-(4-Bromo-phen-yl)-9H-carbazole
Paul Kautny1, Thomas Kader1, Berthold Stöger2
1Institute for Applied Synthetic Chemistry, Division Organic Chemistry, Vienna University of Technology, Getreidemarkt 9/163-OC, A-1060 Vienna, Austria.
Acta Crystallographica. Section E, Structure Reports Online
|April 26, 2014
Summary
This study details the crystal structure of a carbazole derivative (C18H12BrN), revealing a specific molecular orientation and intermolecular interactions. The findings contribute to understanding the solid-state packing of organic molecules.
Area of Science:
- Organic Chemistry
- Crystallography
- Materials Science
Background:
- Carbazole derivatives are important in organic electronics and materials science.
- Understanding the solid-state structure is crucial for predicting material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title molecule, C18H12BrN.
- To analyze the molecular arrangement and intermolecular interactions in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts (C-H⋯π interactions).
Main Results:
- The 4-bromophenyl ring is inclined at 49.87° to the carbazole moiety.
- Molecules form a corrugated two-dimensional network parallel to the (100) plane via C-H⋯π interactions.
- The crystal structure was solved and refined.
Conclusions:
- The study provides detailed structural information for C18H12BrN.
- The observed network structure highlights the role of C-H⋯π interactions in molecular self-assembly.
- This structural data can inform the design of new organic materials.
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