N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate

In the title mol­ecular salt, C(6)H(16)NO(+)·C(10)H(4)N(5)O(9) (−)·2H(2)O, which crystallizes as a dihydrate, O—H⋯O hydrogen bonds link the barbiturate anion, the ethanaminium cation and the water mol­ecules of crystallization. The dihedral angle between the rings in the anion is 43.71 (8)°. In the...

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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/PMC3120611/
https://www.ncbi.nlm.nih.gov/pubmed/21754812
http://dx.doi.org/10.1107/S1600536811017363
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author Buvaneswari, Manickam
Kalaivani, Doraisamyraja
author_facet Buvaneswari, Manickam
Kalaivani, Doraisamyraja
author_sort Buvaneswari, Manickam
collection PubMed
description In the title mol­ecular salt, C(6)H(16)NO(+)·C(10)H(4)N(5)O(9) (−)·2H(2)O, which crystallizes as a dihydrate, O—H⋯O hydrogen bonds link the barbiturate anion, the ethanaminium cation and the water mol­ecules of crystallization. The dihedral angle between the rings in the anion is 43.71 (8)°. In the crystal, an R (2) (2)(8) ring motif hydrogen-bonding pattern is also found involving inversion-related barbiturate rings with N—H⋯O hydrogen bonds. As a result of the various hydrogen bonds an infinite two-dimensional network, propagating in (10[Image: see text]), is formed.
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spelling pubmed-31206112011-07-13 N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate Buvaneswari, Manickam Kalaivani, Doraisamyraja Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecular salt, C(6)H(16)NO(+)·C(10)H(4)N(5)O(9) (−)·2H(2)O, which crystallizes as a dihydrate, O—H⋯O hydrogen bonds link the barbiturate anion, the ethanaminium cation and the water mol­ecules of crystallization. The dihedral angle between the rings in the anion is 43.71 (8)°. In the crystal, an R (2) (2)(8) ring motif hydrogen-bonding pattern is also found involving inversion-related barbiturate rings with N—H⋯O hydrogen bonds. As a result of the various hydrogen bonds an infinite two-dimensional network, propagating in (10[Image: see text]), is formed. International Union of Crystallography 2011-05-20 /pmc/articles/PMC3120611/ /pubmed/21754812 http://dx.doi.org/10.1107/S1600536811017363 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-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
title N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
title_full N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
title_fullStr N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
title_full_unstemmed N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
title_short N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
title_sort n,n-diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120611/
https://www.ncbi.nlm.nih.gov/pubmed/21754812
http://dx.doi.org/10.1107/S1600536811017363
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AT kalaivanidoraisamyraja nndiethyl2hydroxyethanaminium26dioxo5246trinitrophenyl1236tetrahydropyrimidin4olatedihydrate

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