Disodium hydrogen citrate sesquihydrate, Na2HC6H5O7(H2O)1.5
Alagappa Rammohan1, Amy A Sarjeant2, James A Kaduk3
1Atlantic International University, Honolulu HI , USA.
Summary
The crystal structure of disodium hydrogen citrate sesquihydrate was determined using X-ray diffraction. This study reveals strong hydrogen bonds and cation coordination in the crystal lattice.
Area of Science:
- Crystallography
- Materials Science
- Inorganic Chemistry
Background:
- Disodium hydrogen citrate sesquihydrate is a salt with potential applications.
- Understanding its crystal structure is crucial for its properties.
Purpose of the Study:
- To elucidate the detailed crystal structure of disodium hydrogen citrate sesquihydrate.
- To investigate cation coordination and hydrogen bonding within the crystal.
Main Methods:
- Laboratory X-ray single-crystal diffraction for structure determination.
- Density functional theory for structural optimization.
Main Results:
- The crystal structure was solved and refined, revealing two independent hydrogen citrate anions, four sodium cations, and three water molecules.
- Cation coordination polyhedra form isolated 8-rings.
- Strong hydrogen bonds (O⋯O distance of 2.46 Å) were observed between terminal carboxyl groups and non-coordinating oxygen atoms.
Conclusions:
- The study provides a precise structural model for disodium hydrogen citrate sesquihydrate.
- The findings highlight the importance of hydrogen bonding and cation-aryl interactions in stabilizing the crystal structure.
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