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2-Aminopyrimidinium dihydrogen phosphate monohydrate
In the title compound, C(4)H(6)N(3) (+)·H(2)O(4)P(−)·H(2)O, the pyrimidinium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O—H⋯O hydrogen bonds forming six-membered rings wi...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100009/ https://www.ncbi.nlm.nih.gov/pubmed/21754233 http://dx.doi.org/10.1107/S1600536811010658 |
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author | Marouani, Houda Al-Deyab, Salem S. Rzaigui, Mohamed |
author_facet | Marouani, Houda Al-Deyab, Salem S. Rzaigui, Mohamed |
author_sort | Marouani, Houda |
collection | PubMed |
description | In the title compound, C(4)H(6)N(3) (+)·H(2)O(4)P(−)·H(2)O, the pyrimidinium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O—H⋯O hydrogen bonds forming six-membered rings with an R (2) (2)(6) motif. These clusters are interconnected via water molecules through OW—H⋯O hydrogen bonds, building an infinite layer parallel to the ab plane. Moreover, infinite chains of 2-aminopyrimidinium cations spread along the a-axis direction. These chains are connected to the inorganic layer through N—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds, which, together with electrostatic and van der Waals interactions, contribute to the cohesion and stability of the network in the crystal structure. |
format | Text |
id | pubmed-3100009 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31000092011-07-13 2-Aminopyrimidinium dihydrogen phosphate monohydrate Marouani, Houda Al-Deyab, Salem S. Rzaigui, Mohamed Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(4)H(6)N(3) (+)·H(2)O(4)P(−)·H(2)O, the pyrimidinium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O—H⋯O hydrogen bonds forming six-membered rings with an R (2) (2)(6) motif. These clusters are interconnected via water molecules through OW—H⋯O hydrogen bonds, building an infinite layer parallel to the ab plane. Moreover, infinite chains of 2-aminopyrimidinium cations spread along the a-axis direction. These chains are connected to the inorganic layer through N—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds, which, together with electrostatic and van der Waals interactions, contribute to the cohesion and stability of the network in the crystal structure. International Union of Crystallography 2011-03-26 /pmc/articles/PMC3100009/ /pubmed/21754233 http://dx.doi.org/10.1107/S1600536811010658 Text en © Marouani 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 Marouani, Houda Al-Deyab, Salem S. Rzaigui, Mohamed 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
title | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
title_full | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
title_fullStr | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
title_full_unstemmed | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
title_short | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
title_sort | 2-aminopyrimidinium dihydrogen phosphate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100009/ https://www.ncbi.nlm.nih.gov/pubmed/21754233 http://dx.doi.org/10.1107/S1600536811010658 |
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