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

ABSTRACT: In the title compound, C10H16N2O9S3, the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methyl-sulfonyl and bis-(methyl-sulfon-yl)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, mol-ecules are linked via C-H?O hydrogen bonds, forming a three-dimensional structure.

SUBMITTER: Mallah E

PROVIDER: S-EPMC4331903 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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

Mallah Eyad E Al-Sheikh Ahmed A Sweidan Kamal K Abu Dayyih Wael W Steimann Manfred M

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title compound, C10H16N2O9S3, the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methyl-sulfonyl and bis-(methyl-sulfon-yl)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, mol-ecules are linked via C-H⋯O hydrogen bonds, forming a three-dimensional structure. ...[more]

PMID: 25705508

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