Cargando…
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: | , , |
---|---|
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 |
_version_ | 1784787135392382976 |
---|---|
author | Patel, Nilan V. Golab, Joseph T. Kaduk, James A. |
author_facet | Patel, Nilan V. Golab, Joseph T. Kaduk, James A. |
author_sort | Patel, Nilan V. |
collection | PubMed |
description | 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] |
format | Online Article Text |
id | pubmed-9462224 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94622242022-11-04 Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7) Patel, Nilan V. Golab, Joseph T. Kaduk, James A. IUCrdata Data Reports 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] International Union of Crystallography 2020-05-12 /pmc/articles/PMC9462224/ /pubmed/36337153 http://dx.doi.org/10.1107/S2414314620006124 Text en © Patel et al. 2020 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Patel, Nilan V. Golab, Joseph T. Kaduk, James A. Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7) |
title | Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7)
|
title_full | Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7)
|
title_fullStr | Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7)
|
title_full_unstemmed | Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7)
|
title_short | Diammonium potassium citrate, (NH(4))(2)KC(6)H(5)O(7)
|
title_sort | diammonium potassium citrate, (nh(4))(2)kc(6)h(5)o(7) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462224/ https://www.ncbi.nlm.nih.gov/pubmed/36337153 http://dx.doi.org/10.1107/S2414314620006124 |
work_keys_str_mv | AT patelnilanv diammoniumpotassiumcitratenh42kc6h5o7 AT golabjosepht diammoniumpotassiumcitratenh42kc6h5o7 AT kadukjamesa diammoniumpotassiumcitratenh42kc6h5o7 |