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

The asymmetric unit of the title mol­ecular salt, C(10)H(16)N(+)·C(10)H(5)N(4)O(7) (−) (trivial name: N,N-diethyl­anilinium 2,4-dinitro­phenyl­barbiturate), comprises two anion–cation units. In the anions, the dinitro­phenyl ring and the mean plane of the barbiturate ring [planar to within 0.011 (2)...

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Autores principales: Kalaivani, Doraisamyraja, Mangaiyarkarasi, Govindan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588294/
https://www.ncbi.nlm.nih.gov/pubmed/23476417
http://dx.doi.org/10.1107/S160053681204874X
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author Kalaivani, Doraisamyraja
Mangaiyarkarasi, Govindan
author_facet Kalaivani, Doraisamyraja
Mangaiyarkarasi, Govindan
author_sort Kalaivani, Doraisamyraja
collection PubMed
description The asymmetric unit of the title mol­ecular salt, C(10)H(16)N(+)·C(10)H(5)N(4)O(7) (−) (trivial name: N,N-diethyl­anilinium 2,4-dinitro­phenyl­barbiturate), comprises two anion–cation units. In the anions, the dinitro­phenyl ring and the mean plane of the barbiturate ring [planar to within 0.011 (2) and 0.023 (2) Å in the two anions] are inclined to one another by 41.47 (9) and 45.12 (9)°. In the crystal, the anions are linked via strong N—H⋯O hydrogen bonds, forming chains propagating along [10-1]. Within the chains, adjacent inversion-related anionic barbiturate entities are joined through R (2) (2)(8) ring motifs. The cations are linked to the chains via N—H⋯O hydrogen bonds. The chains are linked via a number of C—H⋯O inter­actions, forming a three-dimensional structure.
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spelling pubmed-35882942013-03-08 N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate Kalaivani, Doraisamyraja Mangaiyarkarasi, Govindan Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title mol­ecular salt, C(10)H(16)N(+)·C(10)H(5)N(4)O(7) (−) (trivial name: N,N-diethyl­anilinium 2,4-dinitro­phenyl­barbiturate), comprises two anion–cation units. In the anions, the dinitro­phenyl ring and the mean plane of the barbiturate ring [planar to within 0.011 (2) and 0.023 (2) Å in the two anions] are inclined to one another by 41.47 (9) and 45.12 (9)°. In the crystal, the anions are linked via strong N—H⋯O hydrogen bonds, forming chains propagating along [10-1]. Within the chains, adjacent inversion-related anionic barbiturate entities are joined through R (2) (2)(8) ring motifs. The cations are linked to the chains via N—H⋯O hydrogen bonds. The chains are linked via a number of C—H⋯O inter­actions, forming a three-dimensional structure. International Union of Crystallography 2012-12-05 /pmc/articles/PMC3588294/ /pubmed/23476417 http://dx.doi.org/10.1107/S160053681204874X Text en © Kalaivani and Mangaiyarkarasi 2013 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, Doraisamyraja
Mangaiyarkarasi, Govindan
N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_fullStr N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full_unstemmed N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_short N,N-Diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_sort n,n-diethyl­anilinium 5-(2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588294/
https://www.ncbi.nlm.nih.gov/pubmed/23476417
http://dx.doi.org/10.1107/S160053681204874X
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