Joseph Tsemeugne, Didier Forest Kouganou Djossu, Dieter Schollmeyer, Pierre Mkounga
{"title":"2-Amino-6-nitro-1,3-benzo-thia-zol-3-ium 3-carb-oxy-4-hy-droxy-benzene-1-sulfonate .","authors":"Joseph Tsemeugne, Didier Forest Kouganou Djossu, Dieter Schollmeyer, Pierre Mkounga","doi":"10.1107/S241431462500478X","DOIUrl":null,"url":null,"abstract":"<p><p>In the title salt, C<sub>7</sub>H<sub>6</sub>N<sub>3</sub>O<sub>2</sub>S<sup>+</sup>·C<sub>7</sub>H<sub>5</sub>O<sub>6</sub>S<sup>-</sup>, the cation is protonated at the thia-zole 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 carb-oxy-lic acid grouping and its attached ring is 7.1 (4)° and an intra-molecular 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 inter-actions also occur.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 5","pages":"x250478"},"PeriodicalIF":0.0000,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142387/pdf/","citationCount":"0","resultStr":"{\"title\":\"2-Amino-6-nitro-1,3-benzo-thia-zol-3-ium 3-carb-oxy-4-hy-droxy-benzene-1-sulfonate.\",\"authors\":\"Joseph Tsemeugne, Didier Forest Kouganou Djossu, Dieter Schollmeyer, Pierre Mkounga\",\"doi\":\"10.1107/S241431462500478X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>In the title salt, C<sub>7</sub>H<sub>6</sub>N<sub>3</sub>O<sub>2</sub>S<sup>+</sup>·C<sub>7</sub>H<sub>5</sub>O<sub>6</sub>S<sup>-</sup>, the cation is protonated at the thia-zole 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 carb-oxy-lic acid grouping and its attached ring is 7.1 (4)° and an intra-molecular 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 inter-actions also occur.</p>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"10 Pt 5\",\"pages\":\"x250478\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-05-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142387/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S241431462500478X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/5/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S241431462500478X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/5/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
In the title salt, C7H6N3O2S+·C7H5O6S-, the cation is protonated at the thia-zole 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 carb-oxy-lic acid grouping and its attached ring is 7.1 (4)° and an intra-molecular 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 inter-actions also occur.
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