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A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate
The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one molecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phosphonic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151912/ https://www.ncbi.nlm.nih.gov/pubmed/21837054 http://dx.doi.org/10.1107/S1600536811022239 |
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author | Tsaryk, Natalia V. Dudko, Anatolij V. Kozachkova, Alexandra N. Pekhnyo, Vasily I. |
author_facet | Tsaryk, Natalia V. Dudko, Anatolij V. Kozachkova, Alexandra N. Pekhnyo, Vasily I. |
author_sort | Tsaryk, Natalia V. |
collection | PubMed |
description | The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one molecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phosphonic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides the differences in cell parameters, the most significant structural difference between this structure and that of the first polymorph [Dudko, Bon, Kozachkova, Tsarik & Pekhno (2008 ▶), Ukr. Khim. Zh. 74, 104–106] is the presence of strong symmetric hydrogen bonds between neighbouring phosphonate groups. H atoms involved in these hydrogen bonds are located at inversion centres and O⋯O distances are observed in the range 2.458 (5)–2.523 (5) Å. These bonds and additional O—H⋯O and N—H⋯O hydrogen bonds interlink the molecules, giving a three-dimensional supromolecular network. |
format | Online Article Text |
id | pubmed-3151912 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31519122011-08-11 A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate Tsaryk, Natalia V. Dudko, Anatolij V. Kozachkova, Alexandra N. Pekhnyo, Vasily I. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one molecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phosphonic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides the differences in cell parameters, the most significant structural difference between this structure and that of the first polymorph [Dudko, Bon, Kozachkova, Tsarik & Pekhno (2008 ▶), Ukr. Khim. Zh. 74, 104–106] is the presence of strong symmetric hydrogen bonds between neighbouring phosphonate groups. H atoms involved in these hydrogen bonds are located at inversion centres and O⋯O distances are observed in the range 2.458 (5)–2.523 (5) Å. These bonds and additional O—H⋯O and N—H⋯O hydrogen bonds interlink the molecules, giving a three-dimensional supromolecular network. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151912/ /pubmed/21837054 http://dx.doi.org/10.1107/S1600536811022239 Text en © Tsaryk et al. 2011 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. |
spellingShingle | Organic Papers Tsaryk, Natalia V. Dudko, Anatolij V. Kozachkova, Alexandra N. Pekhnyo, Vasily I. A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
title | A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
title_full | A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
title_fullStr | A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
title_full_unstemmed | A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
title_short | A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
title_sort | second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151912/ https://www.ncbi.nlm.nih.gov/pubmed/21837054 http://dx.doi.org/10.1107/S1600536811022239 |
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