2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate

The title compound, C(12)H(14)ClN(4) (+)·C(9)H(8)NO(3) (−), is a salt with a 1:1 ratio of cation and anion components inter­acting with each other forming an R (2) (2)(8) ring motif. The crystal structure is stabilized by hydrogen bonds (N—H⋯O) involving two different eight-membered rings. One of th...

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Detalles Bibliográficos
Autores principales: Natarajan, Sampath, Mathews, Rita
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200980/
https://www.ncbi.nlm.nih.gov/pubmed/22065484
http://dx.doi.org/10.1107/S1600536811032570
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author Natarajan, Sampath
Mathews, Rita
author_facet Natarajan, Sampath
Mathews, Rita
author_sort Natarajan, Sampath
collection PubMed
description The title compound, C(12)H(14)ClN(4) (+)·C(9)H(8)NO(3) (−), is a salt with a 1:1 ratio of cation and anion components inter­acting with each other forming an R (2) (2)(8) ring motif. The crystal structure is stabilized by hydrogen bonds (N—H⋯O) involving two different eight-membered rings. One of them is formed between the pyrimidine ring (donor) and the carboxylate group (acceptor) from the benzoate, whereas the other ring is formed by N—H⋯O interactions, which help to form a dimer between two symmetry-related salts in the unit cell. In addition, an intramolecular C—H⋯N and intermolecular C—H⋯Cl interactions help to control the molecules in the unit-cell packing.
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spelling pubmed-32009802011-11-06 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate Natarajan, Sampath Mathews, Rita Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(12)H(14)ClN(4) (+)·C(9)H(8)NO(3) (−), is a salt with a 1:1 ratio of cation and anion components inter­acting with each other forming an R (2) (2)(8) ring motif. The crystal structure is stabilized by hydrogen bonds (N—H⋯O) involving two different eight-membered rings. One of them is formed between the pyrimidine ring (donor) and the carboxylate group (acceptor) from the benzoate, whereas the other ring is formed by N—H⋯O interactions, which help to form a dimer between two symmetry-related salts in the unit cell. In addition, an intramolecular C—H⋯N and intermolecular C—H⋯Cl interactions help to control the molecules in the unit-cell packing. International Union of Crystallography 2011-08-17 /pmc/articles/PMC3200980/ /pubmed/22065484 http://dx.doi.org/10.1107/S1600536811032570 Text en © Natarajan and Mathews 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
Natarajan, Sampath
Mathews, Rita
2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
title 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
title_full 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
title_fullStr 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
title_full_unstemmed 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
title_short 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
title_sort 2,4-diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-acet­amido­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200980/
https://www.ncbi.nlm.nih.gov/pubmed/22065484
http://dx.doi.org/10.1107/S1600536811032570
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