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Updated: Jun 5, 2026
12:30
Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
10,11-Dihydro-diindeno[1,2-b:2',1'-d]thio-phene
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a planar C(18)H(12)S molecule. The compound exhibits a unique layered arrangement driven by specific intermolecular interactions, influencing its solid-state packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
- Planar, fused-ring systems are of interest due to their potential applications in organic electronics and materials science.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound, C(18)H(12)S.
- To characterize the planarity and packing arrangement of the molecule in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of crystallographic data included assessing molecular planarity, symmetry elements, and intermolecular interactions.
Main Results:
- The title compound, C(18)H(12)S, forms an essentially planar molecule with a low puckering amplitude (Q = 0.032 Å).
- A crystallographic mirror plane bisects the molecule, passing through the sulfur atom.
- Molecules arrange in layers stabilized by edge-to-face C-H⋯π interactions between methylene hydrogen atoms and adjacent indene rings.
Conclusions:
- The C(18)H(12)S molecule exhibits a high degree of planarity, a rare feature for such fused systems.
- The observed layered structure and C-H⋯π interactions dictate the solid-state packing and may influence bulk material properties.
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