{"title":"1:1 共晶体 4-(二甲基氨基)吡啶-1-鎓 8-羟基喹啉-5-磺酸盐-N,N-二甲基吡啶-4-胺的晶体结构","authors":"Mami Isobe , Yukiyasu Kashiwagi , Koji Kubono","doi":"10.1107/S205698902400642X","DOIUrl":null,"url":null,"abstract":"<div><p>The asymmetric unit of the title compound consists of two independent ion pairs of 4-(dimethylamino)pyridin-1-ium quinolin-8-ol-5-sulfonate (HDMAP<sup>+</sup>·HqSA<sup>−</sup>) and neutral <em>N</em>,<em>N</em>-dimethylpyridin-4-amine (DMAP), forming a 1:1:1 cation:anion:neutral molecule co-crystal. The compound has a layered structure, including cation layers of HDMAP<sup>+</sup> with DMAP and anion layers of HqSA<sup>−</sup> in the crystal. The cation and anion layers are linked by intermolecular C—H⋯O hydrogen bonds and C—H⋯<em>π</em> interactions.</p></div><div><p>The asymmetric unit of the title compound is composed of two independent ion pairs of 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate (HDMAP<sup>+</sup>·HqSA<sup>−</sup>, C<sub>7</sub>H<sub>11</sub>N<sub>2</sub><sup>+</sup>·C<sub>9</sub>H<sub>6</sub>NO<sub>4</sub>S<sup>−</sup>) and neutral <em>N</em>,<em>N</em>-dimethylpyridin-4-amine molecules (DMAP, C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>), co-crystallized as a 1:1:1 HDMAP<sup>+</sup>:HqSA<sup>−</sup>:DMAP adduct in the monoclinic system, space group <em>Pc</em>. The compound has a layered structure, including cation layers of HDMAP<sup>+</sup> with DMAP and anion layers of HqSA<sup>−</sup> in the crystal. In the cation layer, there are intermolecular N—H⋯N hydrogen bonds between the protonated HDMAP<sup>+</sup> molecule and the neutral DMAP molecule. In the anion layer, each HqSA<sup>−</sup> is surrounded by other six HqSA<sup>−</sup>, where the planar network structure is formed by intermolecular O—H⋯O and C—H⋯O hydrogen bonds. The cation and anion layers are linked by intermolecular C—H⋯O hydrogen bonds and C—H⋯<em>π</em> interactions.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 840-844"},"PeriodicalIF":0.5000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine\",\"authors\":\"Mami Isobe , Yukiyasu Kashiwagi , Koji Kubono\",\"doi\":\"10.1107/S205698902400642X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The asymmetric unit of the title compound consists of two independent ion pairs of 4-(dimethylamino)pyridin-1-ium quinolin-8-ol-5-sulfonate (HDMAP<sup>+</sup>·HqSA<sup>−</sup>) and neutral <em>N</em>,<em>N</em>-dimethylpyridin-4-amine (DMAP), forming a 1:1:1 cation:anion:neutral molecule co-crystal. The compound has a layered structure, including cation layers of HDMAP<sup>+</sup> with DMAP and anion layers of HqSA<sup>−</sup> in the crystal. The cation and anion layers are linked by intermolecular C—H⋯O hydrogen bonds and C—H⋯<em>π</em> interactions.</p></div><div><p>The asymmetric unit of the title compound is composed of two independent ion pairs of 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate (HDMAP<sup>+</sup>·HqSA<sup>−</sup>, C<sub>7</sub>H<sub>11</sub>N<sub>2</sub><sup>+</sup>·C<sub>9</sub>H<sub>6</sub>NO<sub>4</sub>S<sup>−</sup>) and neutral <em>N</em>,<em>N</em>-dimethylpyridin-4-amine molecules (DMAP, C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>), co-crystallized as a 1:1:1 HDMAP<sup>+</sup>:HqSA<sup>−</sup>:DMAP adduct in the monoclinic system, space group <em>Pc</em>. The compound has a layered structure, including cation layers of HDMAP<sup>+</sup> with DMAP and anion layers of HqSA<sup>−</sup> in the crystal. In the cation layer, there are intermolecular N—H⋯N hydrogen bonds between the protonated HDMAP<sup>+</sup> molecule and the neutral DMAP molecule. In the anion layer, each HqSA<sup>−</sup> is surrounded by other six HqSA<sup>−</sup>, where the planar network structure is formed by intermolecular O—H⋯O and C—H⋯O hydrogen bonds. The cation and anion layers are linked by intermolecular C—H⋯O hydrogen bonds and C—H⋯<em>π</em> interactions.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 8\",\"pages\":\"Pages 840-844\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S205698902400166X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S205698902400166X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine
The asymmetric unit of the title compound consists of two independent ion pairs of 4-(dimethylamino)pyridin-1-ium quinolin-8-ol-5-sulfonate (HDMAP+·HqSA−) and neutral N,N-dimethylpyridin-4-amine (DMAP), forming a 1:1:1 cation:anion:neutral molecule co-crystal. The compound has a layered structure, including cation layers of HDMAP+ with DMAP and anion layers of HqSA− in the crystal. The cation and anion layers are linked by intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions.
The asymmetric unit of the title compound is composed of two independent ion pairs of 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate (HDMAP+·HqSA−, C7H11N2+·C9H6NO4S−) and neutral N,N-dimethylpyridin-4-amine molecules (DMAP, C7H10N2), co-crystallized as a 1:1:1 HDMAP+:HqSA−:DMAP adduct in the monoclinic system, space group Pc. The compound has a layered structure, including cation layers of HDMAP+ with DMAP and anion layers of HqSA− in the crystal. In the cation layer, there are intermolecular N—H⋯N hydrogen bonds between the protonated HDMAP+ molecule and the neutral DMAP molecule. In the anion layer, each HqSA− is surrounded by other six HqSA−, where the planar network structure is formed by intermolecular O—H⋯O and C—H⋯O hydrogen bonds. The cation and anion layers are linked by intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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