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Crystal structure of potassium [4-amino-5-(benzo[ d]thia-zol-2-yl)-6-(methyl-sulfan-yl)pyrimidin-2-yl](phenyl-sulfon-yl)aza-nide di-methyl-formamide monosolvate hemihydrate

Crystal structure of potassium [4-amino-5-(benzo[ d]thia-zol-2-yl)-6-(methyl-sulfan-yl)pyrimidin-2-yl](phenyl-sulfon-yl)aza-nide di-methyl-formamide monosolvate hemihydrate

Rasha A Azzam, Galal H Elgemeie, Rokia R Osman, Peter G Jones

Acta Crystallogr E Crystallogr Commun. 2019 Feb 19;75(Pt 3):367-371.

PMID: 30867951

Abstract:

The title compound, K+·C18H14N5O2S3 -·C3H7NO·0.5H2O, was obtained in a reaction designed to deliver a neutral 2-pyrimidylbenzo-thia-zole. The anion is deprotonated at the sulfonamide nitro-gen. The asymmetric unit of the title compound contains two potassium cations, two anions, two mol-ecules of DMF and one of water. The anions display some conformational differences but each contains an intra-molecular N-H⋯Nbenzo-thia-zole 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 mol-ecules, are linked by four classical hydrogen bonds to form chains parallel to the b-axis direction.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP661465458-A	Potassium benzo[b]thiophen-2-yl-2-trifluoroborate		661465-45-8	Price

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