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

In the title salt, C(12)H(14)ClN(4) (+)·C(10)H(10)NO(3) (−), zwitterionic N—H⋯O inter­actions form an R (2) (2)(8) ring. The crystal structure is stabilized by N—H⋯O and N—H⋯N hydrogen bonds involving two different eight-membered rings. An N—H⋯O inter­action occurs between the pyrimidine ring (donor...

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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/PMC3201463/
https://www.ncbi.nlm.nih.gov/pubmed/22065507
http://dx.doi.org/10.1107/S1600536811035501
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author Natarajan, Sampath
Mathews, Rita
author_facet Natarajan, Sampath
Mathews, Rita
author_sort Natarajan, Sampath
collection PubMed
description In the title salt, C(12)H(14)ClN(4) (+)·C(10)H(10)NO(3) (−), zwitterionic N—H⋯O inter­actions form an R (2) (2)(8) ring. The crystal structure is stabilized by N—H⋯O and N—H⋯N hydrogen bonds involving two different eight-membered rings. An N—H⋯O inter­action occurs between the pyrimidine ring (donor) and carboxyl­ate group (acceptor) while the other ring is formed by N—H⋯N inter­actions, which form a dimer between two symmetry-related salts. An intra­molecular N—H⋯O hydrogen bond forms a six-membered ring in the benzoate. Inter­molecular C—H⋯O inter­actions are also observed.
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spelling pubmed-32014632011-11-06 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate Natarajan, Sampath Mathews, Rita Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(12)H(14)ClN(4) (+)·C(10)H(10)NO(3) (−), zwitterionic N—H⋯O inter­actions form an R (2) (2)(8) ring. The crystal structure is stabilized by N—H⋯O and N—H⋯N hydrogen bonds involving two different eight-membered rings. An N—H⋯O inter­action occurs between the pyrimidine ring (donor) and carboxyl­ate group (acceptor) while the other ring is formed by N—H⋯N inter­actions, which form a dimer between two symmetry-related salts. An intra­molecular N—H⋯O hydrogen bond forms a six-membered ring in the benzoate. Inter­molecular C—H⋯O inter­actions are also observed. International Union of Crystallography 2011-09-14 /pmc/articles/PMC3201463/ /pubmed/22065507 http://dx.doi.org/10.1107/S1600536811035501 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-propanamido­benzoate
title 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate
title_full 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate
title_fullStr 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate
title_full_unstemmed 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate
title_short 2,4-Diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate
title_sort 2,4-diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium 2-propanamido­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201463/
https://www.ncbi.nlm.nih.gov/pubmed/22065507
http://dx.doi.org/10.1107/S1600536811035501
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