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Updated: Jun 1, 2026

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
2,5-Bis(5-bromo-2-thien-yl)thio-phene.
1Department of Chemistry, Pennsylvania State University at Hazleton, 76 University Drive, Hazleton, PA 18202, USA.
The crystal structure of C(12)H(6)Br(2)S(3) reveals planar molecules. These molecules exhibit a non-planar stacking arrangement with a significant angle between adjacent molecular planes.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Understanding molecular packing is crucial for predicting material properties.
- Crystal structure analysis provides fundamental insights into intermolecular interactions.
Purpose of the Study:
- To determine the precise crystal structure of the title compound, C(12)H(6)Br(2)S(3).
- To investigate the molecular planarity and stacking arrangement in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the three-dimensional molecular arrangement.
- Crystallographic data were analyzed to determine bond lengths, bond angles, and intermolecular distances.
Main Results:
- The title compound, C(12)H(6)Br(2)S(3), crystallizes with planar molecular geometry (r.m.s. deviation = 0.06 Å).
- Consecutive molecules adopt a non-planar stacking orientation, with a dihedral angle of 81.7° between the planes of adjacent molecules.
Conclusions:
- The determined crystal structure provides a detailed molecular model for C(12)H(6)Br(2)S(3).
- The observed non-planar stacking suggests specific intermolecular forces influencing the solid-state packing, potentially impacting material characteristics.
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