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Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate

The title mol­ecular salt, C(5)H(12)NO(+)·C(12)H(8)N(5)O(9) (−) [common name: 4-methyl­morpholin-4-ium 1,3-dimethyl-5-(2,4,6-tri­nitro­phen­yl)barbiturate], possesses noticeable anti­convulsant and hypnotic activity. In the anion, the 1,3-di­methyl­barbituric acid ring and the symmetrically substitu...

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Autores principales: Gomathi, Jeganathan, Kalaivani, Doraisamyraja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459352/
https://www.ncbi.nlm.nih.gov/pubmed/26090161
http://dx.doi.org/10.1107/S2056989015010075
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author Gomathi, Jeganathan
Kalaivani, Doraisamyraja
author_facet Gomathi, Jeganathan
Kalaivani, Doraisamyraja
author_sort Gomathi, Jeganathan
collection PubMed
description The title mol­ecular salt, C(5)H(12)NO(+)·C(12)H(8)N(5)O(9) (−) [common name: 4-methyl­morpholin-4-ium 1,3-dimethyl-5-(2,4,6-tri­nitro­phen­yl)barbiturate], possesses noticeable anti­convulsant and hypnotic activity. In the anion, the 1,3-di­methyl­barbituric acid ring and the symmetrically substituted tri­nitro­phenyl ring, linked via a C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methyl­morpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N—H⋯O hydrogen bond. The cation–anion units are linked by a number of C—H⋯O hydrogen bonds, forming a three-dimensional network.
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spelling pubmed-44593522015-06-18 Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate Gomathi, Jeganathan Kalaivani, Doraisamyraja Acta Crystallogr E Crystallogr Commun Research Communications The title mol­ecular salt, C(5)H(12)NO(+)·C(12)H(8)N(5)O(9) (−) [common name: 4-methyl­morpholin-4-ium 1,3-dimethyl-5-(2,4,6-tri­nitro­phen­yl)barbiturate], possesses noticeable anti­convulsant and hypnotic activity. In the anion, the 1,3-di­methyl­barbituric acid ring and the symmetrically substituted tri­nitro­phenyl ring, linked via a C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methyl­morpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N—H⋯O hydrogen bond. The cation–anion units are linked by a number of C—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2015-05-30 /pmc/articles/PMC4459352/ /pubmed/26090161 http://dx.doi.org/10.1107/S2056989015010075 Text en © Gomathi and Kalaivani 2015 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 Research Communications
Gomathi, Jeganathan
Kalaivani, Doraisamyraja
Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_fullStr Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_full_unstemmed Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_short Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
title_sort crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459352/
https://www.ncbi.nlm.nih.gov/pubmed/26090161
http://dx.doi.org/10.1107/S2056989015010075
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