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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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 |
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] |
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