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Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate

The asymmetric unit of the title mol­ecular salt, C(3)H(10)N(+)·C(12)H(9)N(4)O(7) (−) [alternative name: tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl barbiturate], contains one anion and two half-occupancy cations. The cations are disordered about inversion centres. The tetra­hydro­pyri...

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Detalles Bibliográficos
Autores principales: Gunaseelan, Sridevi, Doraisamyraja, Kalaivani
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257181/
https://www.ncbi.nlm.nih.gov/pubmed/25484695
http://dx.doi.org/10.1107/S1600536814019977
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author Gunaseelan, Sridevi
Doraisamyraja, Kalaivani
author_facet Gunaseelan, Sridevi
Doraisamyraja, Kalaivani
author_sort Gunaseelan, Sridevi
collection PubMed
description The asymmetric unit of the title mol­ecular salt, C(3)H(10)N(+)·C(12)H(9)N(4)O(7) (−) [alternative name: tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl barbiturate], contains one anion and two half-occupancy cations. The cations are disordered about inversion centres. The tetra­hydro­pyrimidine ring is essentially planar [maximum deviation = 0.007 (2) Å] and forms a dihedral angle of 41.12 (6)° with the plane of the benzene ring. In the crystal, N—H⋯O hydrogen bonds link the cations to the anions.
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spelling pubmed-42571812014-12-05 Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate Gunaseelan, Sridevi Doraisamyraja, Kalaivani Acta Crystallogr Sect E Struct Rep Online Data Reports The asymmetric unit of the title mol­ecular salt, C(3)H(10)N(+)·C(12)H(9)N(4)O(7) (−) [alternative name: tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl barbiturate], contains one anion and two half-occupancy cations. The cations are disordered about inversion centres. The tetra­hydro­pyrimidine ring is essentially planar [maximum deviation = 0.007 (2) Å] and forms a dihedral angle of 41.12 (6)° with the plane of the benzene ring. In the crystal, N—H⋯O hydrogen bonds link the cations to the anions. International Union of Crystallography 2014-09-13 /pmc/articles/PMC4257181/ /pubmed/25484695 http://dx.doi.org/10.1107/S1600536814019977 Text en © Gunaseelan and Doraisamyraja 2014 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 Data Reports
Gunaseelan, Sridevi
Doraisamyraja, Kalaivani
Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_fullStr Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full_unstemmed Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_short Crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_sort crystal structure of tri­methyl­ammonium 5-(2,4-di­nitro­phen­yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257181/
https://www.ncbi.nlm.nih.gov/pubmed/25484695
http://dx.doi.org/10.1107/S1600536814019977
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