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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...

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Autores principales: Babykala, R., Kalaivani, D.
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
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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.
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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
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