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[4-氨基-5-(苯并[d]噻唑-2-基)-6-(甲硫基)嘧啶-2-基](苯磺酰基)叠氮钾二甲基甲酰胺单溶剂合物半水合物的晶体结构

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

作者信息

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

机构信息

Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Feb 19;75(Pt 3):367-371. doi: 10.1107/S2056989019002275. eCollection 2019 Mar 1.

Abstract

The title compound, K·CHNOS ·CHNO·0.5HO, 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⋯N 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 axis direction.

摘要

标题化合物K·CHNOS·CHNO·0.5HO是在旨在生成中性2-嘧啶基苯并噻唑的反应中得到的。阴离子在磺酰胺氮处去质子化。标题化合物的不对称单元包含两个钾阳离子、两个阴离子、两个N,N-二甲基甲酰胺分子和一个水分子。阴离子呈现出一些构象差异,但每个都含有一个分子内N-H⋯N氢键。两个钾离子均呈现高度不规则的六配位,每个钾离子的配位情况不同。阴离子与N,N-二甲基甲酰胺和水分子通过四个经典氢键相连,形成平行于轴方向的链。

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