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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4257181 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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