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2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1)
In the title compound, C(5)H(8)N(3)O(+)·ClO(4) (−)·C(5)H(7)N(3)O·H(2)O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methylpyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N—H⋯O(org), N—H⋯O(water)...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200758/ https://www.ncbi.nlm.nih.gov/pubmed/22065517 http://dx.doi.org/10.1107/S1600536811034106 |
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author | Kaabi, Kamel El Glaoui, Maher Ferretti, Valeria Zeller, Matthias Ben Nasr, Cherif |
author_facet | Kaabi, Kamel El Glaoui, Maher Ferretti, Valeria Zeller, Matthias Ben Nasr, Cherif |
author_sort | Kaabi, Kamel |
collection | PubMed |
description | In the title compound, C(5)H(8)N(3)O(+)·ClO(4) (−)·C(5)H(7)N(3)O·H(2)O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methylpyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N—H⋯O(org), N—H⋯O(water), N—H⋯O(ClO4), O—H⋯O(ClO4), N—H⋯N and C—H⋯O(ClO4) hydrogen bonds between the anions, organic entities and water molecules. Intermolecular π–π stacking interactions between neighbouring organic rings are observed with a face-to-face distance of 3.776 (2) Å, and O—H⋯O hydrogen bonds link the perchlorate anions and the water molecules into chains along the b-axis direction. The perchlorate anion and the interstitial water molecule are disordered over two mutually incompatible positions with a common occupancy ratio of 0.678 (16):0.322 (16). |
format | Online Article Text |
id | pubmed-3200758 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32007582011-11-06 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) Kaabi, Kamel El Glaoui, Maher Ferretti, Valeria Zeller, Matthias Ben Nasr, Cherif Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(5)H(8)N(3)O(+)·ClO(4) (−)·C(5)H(7)N(3)O·H(2)O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methylpyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N—H⋯O(org), N—H⋯O(water), N—H⋯O(ClO4), O—H⋯O(ClO4), N—H⋯N and C—H⋯O(ClO4) hydrogen bonds between the anions, organic entities and water molecules. Intermolecular π–π stacking interactions between neighbouring organic rings are observed with a face-to-face distance of 3.776 (2) Å, and O—H⋯O hydrogen bonds link the perchlorate anions and the water molecules into chains along the b-axis direction. The perchlorate anion and the interstitial water molecule are disordered over two mutually incompatible positions with a common occupancy ratio of 0.678 (16):0.322 (16). International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200758/ /pubmed/22065517 http://dx.doi.org/10.1107/S1600536811034106 Text en © Kaabi 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 Kaabi, Kamel El Glaoui, Maher Ferretti, Valeria Zeller, Matthias Ben Nasr, Cherif 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) |
title | 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) |
title_full | 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) |
title_fullStr | 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) |
title_full_unstemmed | 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) |
title_short | 2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1) |
title_sort | 2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1h)-one–water (1/1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200758/ https://www.ncbi.nlm.nih.gov/pubmed/22065517 http://dx.doi.org/10.1107/S1600536811034106 |
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