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Di­ammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7)

The crystal structure of di­ammonium 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 hydro­phobi...

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Detalles Bibliográficos
Autores principales: Patel, Nilan V., Golab, Joseph T., Kaduk, James A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462224/
https://www.ncbi.nlm.nih.gov/pubmed/36337153
http://dx.doi.org/10.1107/S2414314620006124
Descripción
Sumario:The crystal structure of di­ammonium 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 hydro­phobic methyl­ene 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 intra­molecular O—H⋯O hydrogen bond in the citrate anion between the hydroxide group and one of the terminal carboxyl­ate groups. [Image: see text]