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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)...

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Autores principales: Kaabi, Kamel, El Glaoui, Maher, Ferretti, Valeria, Zeller, Matthias, Ben Nasr, Cherif
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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).
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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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