1.
IUCrdata
; 5(Pt 5): x200612, 2020 May.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36337153
RESUMO
The crystal structure of di-ammonium potassium citrate, 2NH4 +·K+·C6H5O7 3-, has been solved and refined using laboratory X-ray powder diffraction data and optimized using density functional theory. The KO7 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-Hâ¯O, N-Hâ¯(O,O) or N-Hâ¯(O,O,O) hydrogen bond. There is an intra-molecular O-Hâ¯O hydrogen bond in the citrate anion between the hydroxide group and one of the terminal carboxyl-ate groups.