Cargando…
N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
In the anion of the title salt, C(10)H(16)N(+)·C(10)H(4)ClN(4)O(7) (−) [trivial name = N,N-diethylanilinium 5-(3-chloro-4,6,-dinitrophenyl)barbiturate], the dihedral angle between the benzene and pyrimidine rings is 45.49 (6)°. The mean plane of the nitro group, which is ortho-substituted with re...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588430/ https://www.ncbi.nlm.nih.gov/pubmed/23476581 http://dx.doi.org/10.1107/S1600536813004352 |
_version_ | 1782261563958231040 |
---|---|
author | Babykala, R. Kalaivani, D. |
author_facet | Babykala, R. Kalaivani, D. |
author_sort | Babykala, R. |
collection | PubMed |
description | In the anion of the title salt, C(10)H(16)N(+)·C(10)H(4)ClN(4)O(7) (−) [trivial name = N,N-diethylanilinium 5-(3-chloro-4,6,-dinitrophenyl)barbiturate], the dihedral angle between the benzene and pyrimidine rings is 45.49 (6)°. The mean plane of the nitro group, which is ortho-substituted with respect to the pyrimidine ring, is twisted by 41.57 (13)° from the benzene ring, while the mean plane of the nitro group, which is para-substituted, is twisted by 14.41 (12)° from this ring. In the crystal, N—H⋯O hydrogen bonds link cations and anions into chains along [1-10]. Within the chains, inversion-related anionic barbiturate anions form R (2) (2)(8) ring motifs. |
format | Online Article Text |
id | pubmed-3588430 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35884302013-03-08 N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate Babykala, R. Kalaivani, D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the anion of the title salt, C(10)H(16)N(+)·C(10)H(4)ClN(4)O(7) (−) [trivial name = N,N-diethylanilinium 5-(3-chloro-4,6,-dinitrophenyl)barbiturate], the dihedral angle between the benzene and pyrimidine rings is 45.49 (6)°. The mean plane of the nitro group, which is ortho-substituted with respect to the pyrimidine ring, is twisted by 41.57 (13)° from the benzene ring, while the mean plane of the nitro group, which is para-substituted, is twisted by 14.41 (12)° from this ring. In the crystal, N—H⋯O hydrogen bonds link cations and anions into chains along [1-10]. Within the chains, inversion-related anionic barbiturate anions form R (2) (2)(8) ring motifs. International Union of Crystallography 2013-02-20 /pmc/articles/PMC3588430/ /pubmed/23476581 http://dx.doi.org/10.1107/S1600536813004352 Text en © Babykala and Kalaivani 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 Babykala, R. Kalaivani, D. N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
title |
N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
title_full |
N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
title_fullStr |
N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
title_full_unstemmed |
N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
title_short |
N,N-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
title_sort | n,n-diethylanilinium 5-(5-chloro-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/PMC3588430/ https://www.ncbi.nlm.nih.gov/pubmed/23476581 http://dx.doi.org/10.1107/S1600536813004352 |
work_keys_str_mv | AT babykalar nndiethylanilinium55chloro24dinitrophenyl26dioxo1236tetrahydropyrimidin4olate AT kalaivanid nndiethylanilinium55chloro24dinitrophenyl26dioxo1236tetrahydropyrimidin4olate |