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Aromatic Hydrocarbon Cations: Structural Overview

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9-Hexyl-3-iodo-9H-carbazole.

Wen-Qian Geng¹, Guo-Yi Xu, Hong-Ping Zhou

¹Department of Chemistry, Anhui University, Hefei 230039, People's Republic of China, and Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230039, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This study details the molecular structure of C(18)H(20)IN, revealing a nearly planar tricyclic carbazole system. Crystal packing analysis showed no significant intermolecular interactions, offering insights into its solid-state properties.

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Published on: April 19, 2019

Area of Science:

Organic Chemistry
Crystallography
Materials Science

Background:

Carbazole derivatives are important in organic electronics and pharmaceuticals.
Understanding the solid-state structure is crucial for predicting material properties.

Purpose of the Study:

To elucidate the crystal structure and molecular geometry of the title compound C(18)H(20)IN.
To investigate intermolecular interactions in the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.

Main Results:

The tricyclic carbazole core of C(18)H(20)IN was found to be essentially planar.
A small dihedral angle of 0.43(8)° was observed between the outer rings.
No short intermolecular contacts were detected in the crystal packing.

Conclusions:

The determined structure provides a fundamental understanding of C(18)H(20)IN's solid-state arrangement.
The planarity and lack of strong intermolecular contacts may influence its electronic and photophysical properties.