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o-Toluene-sulfonamide: a redetermination.

B Thimme Gowda, Sabine Foro, K Shakuntala

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|May 18, 2011

Summary

This summary is machine-generated.

This study refined the crystal structure of a compound with chemical formula C(7)H(9)NO(2)S. The refined structure reveals a bent amino N-atom and a 3D supramolecular network formed by hydrogen bonds.

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Area of Science:

Crystallography
Supramolecular Chemistry
Organic Chemistry

Background:

The crystal structure of C(7)H(9)NO(2)S was initially determined using powder diffraction.
Previous structural data provided a foundational understanding of the compound's arrangement.

Purpose of the Study:

To refine the crystal structure of C(7)H(9)NO(2)S to a higher precision.
To provide a more accurate description of the molecular geometry and intermolecular interactions.

Main Methods:

Single-crystal X-ray diffraction.
Structure refinement techniques.
Analysis of crystallographic data.

Main Results:

The crystal structure was refined to significantly higher precision than previously reported.
A specific C-C-S-N torsion angle of -65.8(2)° was determined for the amino N-atom, indicating a bent geometry.
The formation of a three-dimensional framework/supramolecular structure was confirmed.

Conclusions:

The refined crystal structure offers a more precise understanding of C(7)H(9)NO(2)S.
Hydrogen bonding between the sulfonamide group and sulfonyl oxygen atoms plays a crucial role in stabilizing the observed 3D supramolecular architecture.