Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate
The title structure, 3C2H7N4O+·HFPO3 −·FPO3 2−·H2O, contains three independent 2-carbamoylguanidinium cations, one fluorophosphonate, one hydrogen fluorophosphonate and one water molecule. There are three different layers in the structure that are nearly perpendicu...
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International Union of Crystallography
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254407/ |
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pubmed-32544072012-01-18 Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate Fábry, Jan Fridrichová, Michaela Dušek, Michal Fejfarová, Karla Krupková, Radmila Organic Papers The title structure, 3C2H7N4O+·HFPO3 −·FPO3 2−·H2O, contains three independent 2-carbamoylguanidinium cations, one fluorophosphonate, one hydrogen fluorophosphonate and one water molecule. There are three different layers in the structure that are nearly perpendicular to the c axis. Each layer contains a cation and the layers differ by the respective presence of the water molecule, the hydrogen fluorophosphonate and fluorophosphonate anions. N—H⋯O hydrogen bonds between the guanylurea molecules that interconnect the molecules within each layer are strong. The layers are interconnected by strong and weak O—H⋯O hydrogen bonds between the anions and water molecules, respectively. Interestingly, the configuration of the layers is quite similar to that observed in 2-carbamoylguanidinium hydrogen fluorophosphonate [Fábry et al. (2012). Acta Cryst. C68, o76–o83]. There is also present a N—H⋯F hydrogen bond in the structure which occurs quite rarely. International Union of Crystallography 2011-12-07 /pmc/articles/PMC3254407/ /pubmed/22259550 http://dx.doi.org/10.1107/S1600536811051683 Text en © Fábry et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Fábry, Jan Fridrichová, Michaela Dušek, Michal Fejfarová, Karla Krupková, Radmila |
| spellingShingle |
Fábry, Jan Fridrichová, Michaela Dušek, Michal Fejfarová, Karla Krupková, Radmila Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| author_facet |
Fábry, Jan Fridrichová, Michaela Dušek, Michal Fejfarová, Karla Krupková, Radmila |
| author_sort |
Fábry, Jan |
| title |
Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| title_short |
Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| title_full |
Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| title_fullStr |
Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| title_full_unstemmed |
Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| title_sort |
tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate |
| description |
The title structure, 3C2H7N4O+·HFPO3
−·FPO3
2−·H2O, contains three independent 2-carbamoylguanidinium cations, one fluorophosphonate, one hydrogen fluorophosphonate and one water molecule. There are three different layers in the structure that are nearly perpendicular to the c axis. Each layer contains a cation and the layers differ by the respective presence of the water molecule, the hydrogen fluorophosphonate and fluorophosphonate anions. N—H⋯O hydrogen bonds between the guanylurea molecules that interconnect the molecules within each layer are strong. The layers are interconnected by strong and weak O—H⋯O hydrogen bonds between the anions and water molecules, respectively. Interestingly, the configuration of the layers is quite similar to that observed in 2-carbamoylguanidinium hydrogen fluorophosphonate [Fábry et al. (2012). Acta Cryst. C68, o76–o83]. There is also present a N—H⋯F hydrogen bond in the structure which occurs quite rarely. |
| publisher |
International Union of Crystallography |
| publishDate |
2011 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254407/ |
| _version_ |
1611498901163999232 |