Related Experiment Videos
Oxonium 5-aminouracil-6-sulfonate hydrate
G Mazumder1, M De, S K Mazumder
1Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Calcutta 700 032, India.
Summary
This study details the crystal structure of oxonium 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-sulfonate hydrate. The uracil derivative forms zigzag chains and stacked layers stabilized by hydrogen bonds and hydrophobic interactions.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding the solid-state structure of uracil derivatives is crucial for designing new materials.
- The compound 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-sulfonate hydrate presents unique structural possibilities.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of oxonium 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-sulfonate hydrate.
- To analyze the hydrogen bonding network and stacking arrangements of the uracil skeleton.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding and non-covalent interactions was performed.
Main Results:
- The crystal structure reveals an oxonium cation (H3O+) balancing the anionic sulfonate group (C4H4N3O5S-).
- Uracil molecules form zigzag chains along the c-axis via hydrogen bonding.
- Partially stacked bases and glide-related equivalents create alternating hydrophobic and hydrophilic zones parallel to the a-axis.
Conclusions:
- The compound exhibits a complex supramolecular architecture driven by hydrogen bonding and pi-stacking interactions.
- The identified structural features provide insights into the self-assembly of uracil derivatives in the solid state.