Di-ammonium potassium citrate, (NH₄)₂KC₆H₅O₇.

ABSTRACT: 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-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.

SUBMITTER: Patel NV 

PROVIDER: S-EPMC9462224 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature