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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)...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3588294 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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