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Updated: Jun 1, 2026

Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
(E)-N-[4-(Methyl-sulfon-yl)benzyl-idene]aniline
1School of Life Sciences, Shandong University of Technology, ZiBo 255049, People's Republic of China.
This study details the molecular structure of a novel organic compound, C(14)H(13)NO(2)S. Its crystal structure reveals a trans configuration around the C=N double bond and a specific dihedral angle between aromatic rings.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The C=N double bond is a key functional group in many organic compounds, influencing their chemical behavior.
- Aromatic rings are fundamental building blocks in organic chemistry, and their relative orientation affects molecular conformation.
Purpose of the Study:
- To elucidate the precise molecular structure of the title compound, C(14)H(13)NO(2)S.
- To determine the stereochemistry around the C=N double bond.
- To quantify the spatial relationship between the two aromatic ring systems within the molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the molecular and crystal structure.
- The crystallographic data were processed to determine atomic coordinates and bond parameters.
- Geometric analyses were performed to calculate bond lengths, bond angles, and dihedral angles.
Main Results:
- The title compound, C(14)H(13)NO(2)S, was successfully synthesized and characterized.
- The crystal structure confirmed a trans configuration across the C=N double bond.
- The dihedral angle between the two aromatic ring planes was determined to be 62.07(18)°.
Conclusions:
- The molecular structure of C(14)H(13)NO(2)S is definitively established through crystallographic analysis.
- The observed trans configuration is a significant stereochemical feature of this molecule.
- The determined dihedral angle provides insight into the molecule's overall conformation and potential intermolecular interactions.
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