2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate

In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (−)·2H(2)O, the amino­pyrimidine mol­ecule is protonated at one of the pyrimidine N atoms. The carboxyl­ate group of the 3,5-dinitro­benzoate anion inter­acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N—H⋯O...

Descripción completa

Detalles Bibliográficos
Autores principales: Subashini, Annamalai, Muthiah, Packianathan Thomas, Lynch, Daniel E.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960285/
https://www.ncbi.nlm.nih.gov/pubmed/21201453
http://dx.doi.org/10.1107/S1600536808000524
_version_ 1782188702712201216
author Subashini, Annamalai
Muthiah, Packianathan Thomas
Lynch, Daniel E.
author_facet Subashini, Annamalai
Muthiah, Packianathan Thomas
Lynch, Daniel E.
author_sort Subashini, Annamalai
collection PubMed
description In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (−)·2H(2)O, the amino­pyrimidine mol­ecule is protonated at one of the pyrimidine N atoms. The carboxyl­ate group of the 3,5-dinitro­benzoate anion inter­acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) motif. Two inversion-related pyrimidine rings are linked via a pair of N—H⋯N hydrogen bonds, also forming an R (2) (2)(8) ring motif.
format Text
id pubmed-2960285
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29602852010-12-30 2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate Subashini, Annamalai Muthiah, Packianathan Thomas Lynch, Daniel E. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (−)·2H(2)O, the amino­pyrimidine mol­ecule is protonated at one of the pyrimidine N atoms. The carboxyl­ate group of the 3,5-dinitro­benzoate anion inter­acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) motif. Two inversion-related pyrimidine rings are linked via a pair of N—H⋯N hydrogen bonds, also forming an R (2) (2)(8) ring motif. International Union of Crystallography 2008-01-11 /pmc/articles/PMC2960285/ /pubmed/21201453 http://dx.doi.org/10.1107/S1600536808000524 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Subashini, Annamalai
Muthiah, Packianathan Thomas
Lynch, Daniel E.
2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
title 2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
title_full 2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
title_fullStr 2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
title_full_unstemmed 2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
title_short 2-Amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
title_sort 2-amino-4,6-dimethyl­pyrimidinium 3,5-dinitro­benzoate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960285/
https://www.ncbi.nlm.nih.gov/pubmed/21201453
http://dx.doi.org/10.1107/S1600536808000524
work_keys_str_mv AT subashiniannamalai 2amino46dimethylpyrimidinium35dinitrobenzoatedihydrate
AT muthiahpackianathanthomas 2amino46dimethylpyrimidinium35dinitrobenzoatedihydrate
AT lynchdaniele 2amino46dimethylpyrimidinium35dinitrobenzoatedihydrate

Ejemplares similares