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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Detalles Bibliográficos
Autores principales: Caballero, Ana B., Quirós, Miguel, Salas, Juan M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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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AT salasjuanm 47phenanthroliniumperchlorate5methyl124triazolo15apyrimidin74honewater112