9-(4-Meth-oxy-phen-yl)-9H-carbazole
Prabhu Ganesan1, Nithianantham Jeeva Jasmine2, Robert Swinton Darious3
1School of Chemistry, Bharathidasan University, Tiruchirappalli-620 024, Tamil Nadu, India.
Iucrdata
|September 11, 2023
Summary
This study details the crystal structure of a carbazole derivative, revealing a near-planar carbazole core with a twisted methoxy-substituted phenyl ring. Molecular packing is dominated by hydrogen-hydrogen and carbon-hydrogen interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Carbazole derivatives are important in organic electronics and medicinal chemistry.
- Understanding the solid-state structure is crucial for predicting material properties.
Purpose of the Study:
- To elucidate the crystal structure of a novel carbazole derivative (C19H15NO).
- To analyze the molecular conformation and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Hirshfeld surface analysis was used to quantify intermolecular interactions.
Main Results:
- The carbazole moiety exhibits a dihedral angle of 1.73(12)° between its benzene rings.
- The methoxy-substituted phenyl ring deviates significantly from the carbazole mean plane (56.78(8)°).
- Hirshfeld surface analysis revealed that H⋯H (51.2%) and C⋯H/H⋯C (39.9%) contacts are the primary contributors to crystal packing.
Conclusions:
- The study provides detailed structural insights into a specific carbazole derivative.
- The observed molecular conformation and packing interactions offer a basis for designing related materials with tailored properties.
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