2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate

IUCrData Pub Date : 2025-05-01 DOI:10.1107/S241431462500478X

Joseph Tsemeugne , Didier Forest Kouganou Djossu , Dieter Schollmeyer , Pierre Mkounga

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Abstract

In the title salt, the cation is protonated at the thiazole N atom and in the anion, the sulfonate group is deprotonated and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, cation-to-anion N—H⋯O and anion-to-anion O—H⋯O hydrogen bonds link the component ions into (101) sheets.

In the title salt, C₇H₆N₃O₂S⁺·C₇H₅O₆S⁻, the cation is protonated at the thiazole N atom and the dihedral angle between the nitro group and its attached benzene ring is 3.6 (4)°. In the anion, the sulfonate group is deprotonated and the dihedral angle between the carboxylic acid grouping and its attached ring is 7.1 (4)° and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, cation-to-anion N—H⋯O and anion-to-anion O—H⋯O hydrogen bonds link the component ions into (101) sheets. Aromatic π–π stacking and weak C—H⋯O and C—H⋯S interactions also occur.

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2-Amino-6-nitro-1,3-benzo-thia-zol-3-ium 3-carb-oxy-4-hy-droxy-benzene-1-sulfonate .

在标题盐C7H6N3O2S+·C7H5O6S-中，阳离子在噻唑N原子上质子化，硝基与其所附苯环之间的二面角为3.6(4)°。在阴离子中，磺酸基去质子化，碳氧酸基团与其连接环之间的二面角为7.1(4)°，并在分子内形成O- h⋯O氢键。在晶体中，阳离子到阴离子N-H⋯O和阴离子到阴离子O- h⋯O氢键将组成离子连接成（101）片。芳香族π-π堆积和弱的C-H⋯O和C-H⋯S相互作用也会发生。

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