1-Naphthyl 9H-carbazole-4-sulfonate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a novel carbazole-naphthalene compound. Molecular analysis reveals specific dihedral angles and weak intermolecular interactions, offering insights into its chemical properties.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Carbazole and naphthalene moieties are prevalent in various functional materials.
- Understanding the precise three-dimensional arrangement of fused ring systems is crucial for predicting molecular properties.
- Sulfonate groups can influence intermolecular interactions and crystal packing.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(22)H(15)NO(3)S.
- To quantify the spatial relationship between the carbazole and naphthalene ring systems.
- To identify and characterize intra- and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
- Geometric parameters, including dihedral angles, were precisely measured.
- Intermolecular interactions, such as C-H⋯O bonds, were analyzed.
Main Results:
- The crystal structure of C(22)H(15)NO(3)S was successfully determined.
- A significant dihedral angle of 65.06(4)° was observed between the carbazole and naphthalene ring systems.
- Weak intra-molecular C-H⋯O interactions involving the naphthalene and sulfonate groups were identified, alongside two intermolecular C-H⋯O interactions.
Conclusions:
- The determined crystal structure provides a precise geometric description of the title compound.
- The observed dihedral angle suggests a non-planar conformation, influencing molecular packing.
- The identified weak interactions play a role in stabilizing the crystal structure and may impact material properties.
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