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(+)·C(18)H(14)N(5)O(2)S(3) (−)·C(3)H(7)NO·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,...

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Autores principales: Azzam, Rasha A., Elgemeie, Galal H., Osman, Rokia R., Jones, Peter G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6399705/
https://www.ncbi.nlm.nih.gov/pubmed/30867951
http://dx.doi.org/10.1107/S2056989019002275
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author Azzam, Rasha A.
Elgemeie, Galal H.
Osman, Rokia R.
Jones, Peter G.
author_facet Azzam, Rasha A.
Elgemeie, Galal H.
Osman, Rokia R.
Jones, Peter G.
author_sort Azzam, Rasha A.
collection PubMed
description The title compound, K(+)·C(18)H(14)N(5)O(2)S(3) (−)·C(3)H(7)NO·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⋯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.
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spelling pubmed-63997052019-03-13 Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate Azzam, Rasha A. Elgemeie, Galal H. Osman, Rokia R. Jones, Peter G. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, K(+)·C(18)H(14)N(5)O(2)S(3) (−)·C(3)H(7)NO·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⋯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. International Union of Crystallography 2019-02-19 /pmc/articles/PMC6399705/ /pubmed/30867951 http://dx.doi.org/10.1107/S2056989019002275 Text en © Azzam et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Azzam, Rasha A.
Elgemeie, Galal H.
Osman, Rokia R.
Jones, Peter G.
Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
title Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
title_full Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
title_fullStr Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
title_full_unstemmed Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
title_short Crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
title_sort crystal structure of potassium [4-amino-5-(benzo[d]thia­zol-2-yl)-6-(methyl­sulfan­yl)pyrimidin-2-yl](phenyl­sulfon­yl)aza­nide di­methyl­formamide monosolvate hemihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6399705/
https://www.ncbi.nlm.nih.gov/pubmed/30867951
http://dx.doi.org/10.1107/S2056989019002275
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