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

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o58-9. doi: 10.1107/S2056989014027455.

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.

Keywords: barbituric acid; crystal structure; hydrogen bonding; methyl­sulfon­yl; pyrimidines; trione.