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Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
4-acetamido-3,3,5,5-[2H4]-2,2,6,6-tetra([2H3]methyl)piperidin-1-yloxyl 0.33-hydrate
Jarmila Duskova1, Jiri Labsky, Ivana Cisarova
1Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovskeho nam. 2, Praha 6, Czech Republic. duskova@imc.cas.cz
Acta Crystallographica. Section C, Crystal Structure Communications
|September 7, 2006
Summary
This study reveals the crystal structure of a deuterated piperidin-1-yloxyl compound. Three independent molecules and water form hydrogen-bonded layers, stabilized by the water molecule in a low-symmetry arrangement.
Area of Science:
- Crystallography
- Materials Science
- Chemical Physics
Background:
- Piperidin-1-yloxyl derivatives are important free radical compounds.
- Understanding the solid-state structure is crucial for their applications.
- Deuterated compounds offer unique properties for research.
Purpose of the Study:
- To determine the crystal structure of a deuterated piperidin-1-yloxyl compound.
- To elucidate the hydrogen bonding network and molecular arrangement.
- To investigate the role of water in stabilizing the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was used to analyze the crystal structure.
- The asymmetric unit was characterized, revealing independent molecules and solvent.
- Hydrogen bond analysis was performed to understand intermolecular interactions.
Main Results:
- The asymmetric unit contains three crystallographically independent piperidin-1-yloxyl molecules and a water molecule.
- Nine hydrogen bonds link these molecules into layers parallel to the ac plane.
- The water molecule participates in four hydrogen bonds, stabilizing the low-symmetry structure.
Conclusions:
- The crystal structure provides detailed insights into the packing and interactions of deuterated piperidin-1-yloxyl.
- The hydrogen bonding network, including the role of water, is critical for the observed low-symmetry arrangement.
- This structural information is valuable for the design and application of related radical compounds.
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