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Published on: August 16, 2018
2-Methyl-3-phenyl-sulfinyl-1-benzofuran
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the synthesis and crystal structure of a novel benzofuran derivative. The compound
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Benzofuran derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the three-dimensional structure and intermolecular interactions of organic compounds is crucial for predicting their properties and designing new materials.
Purpose of the Study:
- To synthesize and characterize a novel phenyl-sulfinyl benzofuran derivative.
- To elucidate the crystal structure and analyze the intermolecular interactions of the title compound.
Main Methods:
- Oxidation of 2-methyl-3-phenyl-sulfanyl-1-benzofuran using 3-chloro-peroxy-benzoic acid.
- Single-crystal X-ray diffraction analysis to determine the crystal structure.
Main Results:
- The title compound, C(15)H(12)O(2)S, was successfully synthesized.
- The crystal structure reveals specific orientations of the sulfinyl group and phenyl ring relative to the benzofuran core.
- The crystal lattice is stabilized by significant pi-pi stacking interactions and C-H···pi/C-H···O hydrogen bonds.
Conclusions:
- The study provides a detailed structural analysis of a new benzofuran derivative.
- The identified intermolecular interactions are key to the compound's crystal packing and stability.
- This structural information can guide future research in the design of functional organic materials.
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