4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2)
The asymmetric unit of the title compound, C(12)H(9)N(2) (+)·ClO(4) (−)·C(6)H(6)N(4)O·2H(2)O, contains a monoprotonated 4,7-phenanthrolinium (47phen) cation, a perchlorate anion balancing its charge, a neutral molecule of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (HmtpO) and two interstiti...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979915/ https://www.ncbi.nlm.nih.gov/pubmed/21579873 http://dx.doi.org/10.1107/S1600536810002564 |
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author | Caballero, Ana B. Quirós, Miguel Salas, Juan M. |
author_facet | Caballero, Ana B. Quirós, Miguel Salas, Juan M. |
author_sort | Caballero, Ana B. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(12)H(9)N(2) (+)·ClO(4) (−)·C(6)H(6)N(4)O·2H(2)O, contains a monoprotonated 4,7-phenanthrolinium (47phen) cation, a perchlorate anion balancing its charge, a neutral molecule of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (HmtpO) and two interstitial water molecules. In the crystal structure, the acidic H atoms of 47phenH(+) and HmtpO form strong hydrogen bonds with the water molecules, which in turn act as hydrogen-bond donors, forming links between them and towards the carbonyl O atom of HmtpO, the non-protonated N atom of 47phen(+) and one of the O atoms of the anion. |
format | Text |
id | pubmed-2979915 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29799152010-12-30 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) Caballero, Ana B. Quirós, Miguel Salas, Juan M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(12)H(9)N(2) (+)·ClO(4) (−)·C(6)H(6)N(4)O·2H(2)O, contains a monoprotonated 4,7-phenanthrolinium (47phen) cation, a perchlorate anion balancing its charge, a neutral molecule of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (HmtpO) and two interstitial water molecules. In the crystal structure, the acidic H atoms of 47phenH(+) and HmtpO form strong hydrogen bonds with the water molecules, which in turn act as hydrogen-bond donors, forming links between them and towards the carbonyl O atom of HmtpO, the non-protonated N atom of 47phen(+) and one of the O atoms of the anion. International Union of Crystallography 2010-01-27 /pmc/articles/PMC2979915/ /pubmed/21579873 http://dx.doi.org/10.1107/S1600536810002564 Text en © Caballero et al. 2010 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 Caballero, Ana B. Quirós, Miguel Salas, Juan M. 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) |
title | 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) |
title_full | 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) |
title_fullStr | 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) |
title_full_unstemmed | 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) |
title_short | 4,7-Phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one–water (1/1/2) |
title_sort | 4,7-phenanthrolinium perchlorate–5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4h)-one–water (1/1/2) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979915/ https://www.ncbi.nlm.nih.gov/pubmed/21579873 http://dx.doi.org/10.1107/S1600536810002564 |
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