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Updated: Jun 1, 2026

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
2-(1,3-Dithian-2-yl)-1,3-dithiane-2-carbaldehyde
This study reveals the crystal structure of a novel compound, C(9)H(14)OS(4), detailing its molecular arrangement and stabilizing interactions. The research highlights specific hydrogen bonds and ring conformations within the crystal lattice.
Area of Science:
- Crystallography
- Chemical structure analysis
- Organic chemistry
Background:
- Understanding molecular interactions is crucial in chemistry.
- Crystal structure analysis provides detailed insights into compound architecture.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(9)H(14)OS(4).
- To identify and characterize intra- and inter-molecular interactions.
- To describe the conformational preferences of the dithia-cyclo-hexane rings.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Analysis of the asymmetric unit and molecular conformations.
- Identification of hydrogen bonding and other non-covalent interactions.
Main Results:
- The asymmetric unit contains two independent, similarly conformed molecules.
- Intra-molecular C-H⋯O hydrogen bonds form S(6) ring motifs.
- Six-membered dithia-cyclo-hexane rings adopt chair conformations.
- Crystal structure is stabilized by C-H⋯O and C-H⋯S interactions.
Conclusions:
- The study provides a detailed structural characterization of C(9)H(14)OS(4).
- The identified interactions contribute to the overall crystal packing and stability.
- Conformational analysis reveals specific ring geometries in the solid state.
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