Crystal structure of potassium [4-amino-5-(benzo-[d]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl]-(phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate

The title compound, K+center dot C18H14N5O2S3-center dot C3H7NO center dot 0.5H(2)O, was obtained in a reaction designed to deliver a neutral 2-pyrimidylbenzothiazole. The anion is deprotonated at the sulfonamide nitrogen. The asymmetric unit of the title compound contains two potassium cations, two anions, two molecules of DMF and one of water. The anions display some conformational differences but each contains an intramolecular N - H center dot center dot center dot N-benzothiazole hydrogen bond. The potassium ions both display a highly irregular six-coordination, different for each potassium ion. The anions, together with the DMF and water molecules, are linked by four classical hydrogen bonds to form chains parallel to the b-axis direction.