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Updated: Jun 1, 2026
08:51
Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
2-(2,3-Difluoro-phen-yl)ethyl toluene-4-sulfonate
Summary
This study details the crystal structure of a novel fluorinated organic compound. Molecular analysis reveals specific dihedral angles and intermolecular hydrogen bonding, forming chain-like structures in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Fluorinated organic compounds exhibit unique characteristics due to the high electronegativity of fluorine.
- Intermolecular interactions, such as hydrogen bonds, dictate crystal packing and solid-state behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(14)F(2)O(3)S.
- To analyze the spatial arrangement and intermolecular interactions within the crystal lattice.
- To provide insights into the structure-property relationships of this specific fluorinated organic molecule.
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 detailed geometric information.
- Identification and analysis of intermolecular interactions, including hydrogen bonds, were performed.
Main Results:
- The crystal structure of C(15)H(14)F(2)O(3)S was successfully determined.
- A dihedral angle of 6.19(13)° was measured between the aromatic rings within the molecule.
- Molecules were observed to form [110] chains through C-H⋯O hydrogen bonding.
Conclusions:
- The study provides a precise structural characterization of the title compound.
- The observed dihedral angle suggests a near-planar conformation of the aromatic systems.
- The identified hydrogen bonding network highlights a key intermolecular force governing the crystal packing.
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