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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...

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Autores principales: Tsaryk, Natalia V., Dudko, Anatolij V., Kozachkova, Alexandra N., Pekhnyo, Vasily I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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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