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Updated: May 27, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
2,2-Dimethyl-N-(2-methyl-phenyl-sulfon-yl)acetamide
Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
Summary
This study details the crystal structure of C(11)H(15)NO(3)S, revealing two independent molecules with trans amide bonds. Molecular packing forms chains stabilized by hydrogen bonds.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular conformation and crystal packing is crucial in chemical physics.
- The specific compound C(11)H(15)NO(3)S presents an interesting case for structural analysis.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(15)NO(3)S.
- To analyze molecular conformation, including amide bond geometry and torsion angles.
- To investigate intermolecular interactions and crystal packing motifs.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of the asymmetric unit revealed the presence of two independent molecules.
- Geometric parameters and torsion angles were calculated and analyzed.
Main Results:
- The asymmetric unit contains two independent molecules of C(11)H(15)NO(3)S, both exhibiting trans amide bonds.
- Specific C-S-N-C torsion angles were determined as -67.4(2)° and 63.8(2)° for the two molecules.
- One molecule features a methyl group with positional disorder, and crystal packing is characterized by chains formed via N-H⋯O(S) hydrogen bonds.
Conclusions:
- The crystal structure of C(11)H(15)NO(3)S has been successfully determined.
- The study provides detailed insights into the conformational preferences and intermolecular interactions of the compound.
- The observed crystal packing highlights the role of hydrogen bonding in stabilizing the molecular arrangement.
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