Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione

In the title compound, C(10)H(16)N(2)O(9)S(3), the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methyl­sulfonyl and bis­(methyl­sulfon­yl)methyl substituents as the flap. The dihedral angle between mean plane of the pyrimidine r...

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Autores principales: Mallah, Eyad, Al-Sheikh, Ahmed, Sweidan, Kamal, Abu Dayyih, Wael, Steimann, Manfred
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331903/
https://www.ncbi.nlm.nih.gov/pubmed/25705508
http://dx.doi.org/10.1107/S2056989014027455
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author Mallah, Eyad
Al-Sheikh, Ahmed
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
author_facet Mallah, Eyad
Al-Sheikh, Ahmed
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
author_sort Mallah, Eyad
collection PubMed
description In the title compound, C(10)H(16)N(2)O(9)S(3), the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methyl­sulfonyl and bis­(methyl­sulfon­yl)methyl substituents as the flap. The dihedral angle between mean plane of the pyrimidine ring and the S/C/S plane is 72.4 (3)°. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure.
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spelling pubmed-43319032015-02-20 Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione Mallah, Eyad Al-Sheikh, Ahmed Sweidan, Kamal Abu Dayyih, Wael Steimann, Manfred Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(10)H(16)N(2)O(9)S(3), the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methyl­sulfonyl and bis­(methyl­sulfon­yl)methyl substituents as the flap. The dihedral angle between mean plane of the pyrimidine ring and the S/C/S plane is 72.4 (3)°. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331903/ /pubmed/25705508 http://dx.doi.org/10.1107/S2056989014027455 Text en © Mallah et al. 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 Data Reports
Mallah, Eyad
Al-Sheikh, Ahmed
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione
title Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione
title_full Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione
title_fullStr Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione
title_full_unstemmed Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione
title_short Crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1H,3H,5H)-trione
title_sort crystal structure of 5-[bis­(methyl­sulfon­yl)meth­yl]-1,3-dimethyl-5-(methyl­sulfon­yl)pyrimidine-2,4,6(1h,3h,5h)-trione
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331903/
https://www.ncbi.nlm.nih.gov/pubmed/25705508
http://dx.doi.org/10.1107/S2056989014027455
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