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

In the title barbiturate salt (trivial name: trimethyl­ammonium 2,4,6-trinitro­phenyl­barbiturate), C(3)H(10)N(+)·C(10)H(4)N(5)O(9) (−), the asymmetric unit contains two sets of anion–cation moieties. The dihedral angle between the rings in the anions are 44.0 (3) and 45.7 (3)°. Adjacent anions are...

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Autores principales: Kalaivani, D., Buvaneswari, M., Rajeswari, S.
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/PMC3254393/
https://www.ncbi.nlm.nih.gov/pubmed/22259534
http://dx.doi.org/10.1107/S1600536811051610
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author Kalaivani, D.
Buvaneswari, M.
Rajeswari, S.
author_facet Kalaivani, D.
Buvaneswari, M.
Rajeswari, S.
author_sort Kalaivani, D.
collection PubMed
description In the title barbiturate salt (trivial name: trimethyl­ammonium 2,4,6-trinitro­phenyl­barbiturate), C(3)H(10)N(+)·C(10)H(4)N(5)O(9) (−), the asymmetric unit contains two sets of anion–cation moieties. The dihedral angle between the rings in the anions are 44.0 (3) and 45.7 (3)°. Adjacent anions are connected into ribbons along [100] through R (2) (2)(8) ring motifs formed by N—H⋯O hydrogen bonds involving the barbiturate rings. Attached to both sides of these ribbons via N—H⋯O hydrogen bonds are the trimethyl­ammonium cations. C—H⋯O hydrogen bonds are also observed.
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spelling pubmed-32543932012-01-18 Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate Kalaivani, D. Buvaneswari, M. Rajeswari, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title barbiturate salt (trivial name: trimethyl­ammonium 2,4,6-trinitro­phenyl­barbiturate), C(3)H(10)N(+)·C(10)H(4)N(5)O(9) (−), the asymmetric unit contains two sets of anion–cation moieties. The dihedral angle between the rings in the anions are 44.0 (3) and 45.7 (3)°. Adjacent anions are connected into ribbons along [100] through R (2) (2)(8) ring motifs formed by N—H⋯O hydrogen bonds involving the barbiturate rings. Attached to both sides of these ribbons via N—H⋯O hydrogen bonds are the trimethyl­ammonium cations. C—H⋯O hydrogen bonds are also observed. International Union of Crystallography 2011-12-07 /pmc/articles/PMC3254393/ /pubmed/22259534 http://dx.doi.org/10.1107/S1600536811051610 Text en © Kalaivani et al. 2012 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
Kalaivani, D.
Buvaneswari, M.
Rajeswari, S.
Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_fullStr Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full_unstemmed Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_short Trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_sort trimethyl­ammonium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254393/
https://www.ncbi.nlm.nih.gov/pubmed/22259534
http://dx.doi.org/10.1107/S1600536811051610
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AT rajeswaris trimethylammonium26dioxo5246trinitrophenyl1236tetrahydropyrimidin4olate

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