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1-Methyl-3-phenyl-sulfonyl-2-piperidone
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the molecular structure and crystal packing of a piperidone compound. It reveals how intermolecular interactions, specifically hydrogen bonds, organize molecules into dimers and layered structures.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Piperidone derivatives are important scaffolds in medicinal chemistry.
- Understanding crystal packing is crucial for material properties and drug formulation.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure of the title compound C(12)H(15)NO(3)S.
- To investigate the intermolecular interactions governing its crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of hydrogen bonding and non-covalent interactions (C-H...O, C-H...O-S).
Main Results:
- The piperidone ring adopts a distorted half-chair conformation.
- Molecules form centrosymmetric dimers via C-H...O interactions.
- Dimers associate into layers through C-H...O-S contacts, further consolidated by C-H...O interactions.
Conclusions:
- The crystal structure is stabilized by a network of hydrogen bonds involving carbonyl and sulfonyl oxygen atoms.
- Detailed understanding of the packing arrangement provides insights into structure-property relationships.
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