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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...

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Detalles Bibliográficos
Autores principales: Marouani, Houda, Al-Deyab, Salem S., Rzaigui, Mohamed
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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