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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
Methyl 4-methyl-sulfonyl-2-nitro-benzoate
Yan-Jun Hou1, Wen-Yi Chu, Jun Sui
1College of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China.
Summary
A novel compound, C(9)H(9)NO(6)S, was synthesized using mild reaction conditions. Its crystal structure reveals specific dihedral angles and stabilization through intermolecular interactions.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Synthesis of novel organic compounds is crucial for materials science.
- Understanding molecular geometry impacts chemical properties and reactivity.
Purpose of the Study:
- To synthesize and characterize a new compound with the molecular formula C(9)H(9)NO(6)S.
- To elucidate the crystal structure and intermolecular interactions of the synthesized compound.
Main Methods:
- Mild reaction conditions involving methanol and thionyl chloride.
- X-ray crystallography to determine the dihedral angles and crystal packing.
Main Results:
- Successful synthesis of the title compound C(9)H(9)NO(6)S.
- Determined dihedral angle between nitro group and benzene ring (21.33°).
- Determined dihedral angle between carboxylate group and benzene ring (72.09°).
- Identified crystal structure stabilization via weak intermolecular bifurcated C-H⋯O interactions.
Conclusions:
- The study reports the synthesis and structural characterization of a novel organic compound.
- The specific dihedral angles provide insights into the molecule's conformation.
- Intermolecular interactions play a key role in stabilizing the crystal lattice.
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