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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.

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.

SUBMITTER: Azzam RA 

PROVIDER: S-EPMC6399705 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature

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

Azzam Rasha A RA   Elgemeie Galal H GH   Osman Rokia R RR   Jones Peter G PG  

Acta crystallographica. Section E, Crystallographic communications 20190219 Pt 3

The title compound, K<sup>+</sup>·C<sub>18</sub>H<sub>14</sub>N<sub>5</sub>O<sub>2</sub>S<sub>3</sub> <sup>-</sup>·C<sub>3</sub>H<sub>7</sub>NO·0.5H<sub>2</sub>O, 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 a  ...[more]

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