Crystal and molecular structure of 2-methylamino-4-thiazolinone

Abstract

An x-ray diffraction structural analysis showed that 2-methylamino-4-thiazolinone in the crystal exists as the amine tautomer and forms centrosymmetric dimers due to N2-H(N2)...N1 hydrogen bonds. An intermolecular S...O' contact is found in the direction close to the extension of the S-C1 bond. The methyl group is in the s-cis position relative to the sulfur atom. Significant Π-electron delocalization is found over the\(N^2 \underline \cdots C^1 \underline \cdots N^1 \underline \cdots C^2 .\)