N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate

In the crystal structure of the title mol­ecular salt, C(10)H(16)N(+)·C(10)H(4)N(5)O(9) (−), the components are linked through a N—H⋯O hydrogen bonds. R (2) (2)(8) ring motifs are formed between inversion-related barbiturate residues. Two intra­moleculer N—H⋯O hydrogen bonds are observed in the anio...

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Detalles Bibliográficos
Autores principales: Buvaneswari, Manickam, Kalaivani, Doraisamyraja
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/PMC3239082/
https://www.ncbi.nlm.nih.gov/pubmed/22199930
http://dx.doi.org/10.1107/S1600536811049506
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author Buvaneswari, Manickam
Kalaivani, Doraisamyraja
author_facet Buvaneswari, Manickam
Kalaivani, Doraisamyraja
author_sort Buvaneswari, Manickam
collection PubMed
description In the crystal structure of the title mol­ecular salt, C(10)H(16)N(+)·C(10)H(4)N(5)O(9) (−), the components are linked through a N—H⋯O hydrogen bonds. R (2) (2)(8) ring motifs are formed between inversion-related barbiturate residues. Two intra­moleculer N—H⋯O hydrogen bonds are observed in the anion. The dihedral angle between 2,4,6-trinitro­phenyl and barbiturate rings is 53.6 (2)°. The N,N-diethyl­amine substituent is disordered and was modeled as two geometrically equivalent conformers with occupancies of 0.737 (2) and 0.273 (2).
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spelling pubmed-32390822011-12-23 N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate Buvaneswari, Manickam Kalaivani, Doraisamyraja Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title mol­ecular salt, C(10)H(16)N(+)·C(10)H(4)N(5)O(9) (−), the components are linked through a N—H⋯O hydrogen bonds. R (2) (2)(8) ring motifs are formed between inversion-related barbiturate residues. Two intra­moleculer N—H⋯O hydrogen bonds are observed in the anion. The dihedral angle between 2,4,6-trinitro­phenyl and barbiturate rings is 53.6 (2)°. The N,N-diethyl­amine substituent is disordered and was modeled as two geometrically equivalent conformers with occupancies of 0.737 (2) and 0.273 (2). International Union of Crystallography 2011-11-30 /pmc/articles/PMC3239082/ /pubmed/22199930 http://dx.doi.org/10.1107/S1600536811049506 Text en © Buvaneswari and Kalaivani 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
Buvaneswari, Manickam
Kalaivani, Doraisamyraja
N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
title N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
title_full N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
title_fullStr N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
title_full_unstemmed N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
title_short N,N-Diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
title_sort n,n-diethyl­anilinium 2,4-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,4-tetra­hydro­pyrimi­din-6-olate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239082/
https://www.ncbi.nlm.nih.gov/pubmed/22199930
http://dx.doi.org/10.1107/S1600536811049506
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