Di-ammonium potassium citrate, (NH 4 ) 2 KC 6 H 5 O 7 .
Nilan V PatelJoseph T GolabJames A KadukPublished in: IUCrData (2020)
The crystal structure of di-ammonium potassium citrate, 2NH 4 + ·K + ·C 6 H 5 O 7 3- , has been solved and refined using laboratory X-ray powder diffraction data and optimized using density functional theory. The KO 7 coordination polyhedra are isolated. The ammonium cations and the hydro-phobic methyl-ene sides of the citrate anions occupy the spaces between the coordination polyhedra. Each hydrogen atom of the ammonium ions acts as a donor in a charge-assisted N-H⋯O, N-H⋯(O,O) or N-H⋯(O,O,O) hydrogen bond. There is an intra-molecular O-H⋯O hydrogen bond in the citrate anion between the hydroxide group and one of the terminal carboxyl-ate groups.
Keyphrases
- ionic liquid
- room temperature
- density functional theory
- molecular dynamics
- biofilm formation
- electronic health record
- magnetic resonance imaging
- big data
- quantum dots
- aqueous solution
- gold nanoparticles
- cystic fibrosis
- machine learning
- transition metal
- perovskite solar cells
- electron microscopy
- artificial intelligence
- pseudomonas aeruginosa
- candida albicans
- water soluble