Valerii Y. Sirenko , Dina D. Naumova , Irina A. Golenya , Sergiu Shova , Il’ya A. Gural’skiy , M. Weil (Editor)
{"title":"双-（3-碳氧基-1-甲基吡啶鎓）八溴化物的晶体结构。","authors":"Valerii Y. Sirenko , Dina D. Naumova , Irina A. Golenya , Sergiu Shova , Il’ya A. Gural’skiy , M. Weil (Editor)","doi":"10.1107/S2056989023008460","DOIUrl":null,"url":null,"abstract":"<div><p>The structure of the title compound is composed of rare <em>Z</em>-shaped octabromide anions embedded within <em>N</em>-methylnicotinic acid cations.</p></div><div><p>The crystal structure of the title salt, bis(3-carboxy-1-methylpyridinium) octabromide, 2C<sub>7</sub>H<sub>8</sub>NO<sub>2</sub> <sup>+</sup>·Br<sub>8</sub> <sup>2−</sup>, consists of 3-carboxy-1-methylpyridinium (<em>N</em>-methylnicotinic acid) cations, which are stacked between relatively rare [Br<sub>8</sub>]<sup>2–</sup> anions. The polybromide [Br<sub>8</sub>]<sup>2–</sup> anion has point group symmetry <figure><img></figure> and can be described as being composed of two [Br<sub>3</sub>]<sup>−</sup> anions connected with a Br<sub>2</sub> molecule in a <em>Z</em>-shaped manner. Contacts between neighboring octabromide anions ensure the creation of pseudo-polymeric chains propagating along [111]. The organic cations are located between anionic chains and are connected to each other through O—H⋯O hydrogen bonds and to the [Br<sub>8</sub>]<sup>2–</sup> anions through π⋯Br interactions that induce the creation of a supramolecular tri-periodic network. In addition, the presence of weak C—H⋯Br contacts leads to the creation of layers, which align parallel to (11 <figure><img></figure> ).</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"79 11","pages":"Pages 977-981"},"PeriodicalIF":0.5000,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626950/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide\",\"authors\":\"Valerii Y. Sirenko , Dina D. Naumova , Irina A. Golenya , Sergiu Shova , Il’ya A. Gural’skiy , M. Weil (Editor)\",\"doi\":\"10.1107/S2056989023008460\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The structure of the title compound is composed of rare <em>Z</em>-shaped octabromide anions embedded within <em>N</em>-methylnicotinic acid cations.</p></div><div><p>The crystal structure of the title salt, bis(3-carboxy-1-methylpyridinium) octabromide, 2C<sub>7</sub>H<sub>8</sub>NO<sub>2</sub> <sup>+</sup>·Br<sub>8</sub> <sup>2−</sup>, consists of 3-carboxy-1-methylpyridinium (<em>N</em>-methylnicotinic acid) cations, which are stacked between relatively rare [Br<sub>8</sub>]<sup>2–</sup> anions. The polybromide [Br<sub>8</sub>]<sup>2–</sup> anion has point group symmetry <figure><img></figure> and can be described as being composed of two [Br<sub>3</sub>]<sup>−</sup> anions connected with a Br<sub>2</sub> molecule in a <em>Z</em>-shaped manner. Contacts between neighboring octabromide anions ensure the creation of pseudo-polymeric chains propagating along [111]. The organic cations are located between anionic chains and are connected to each other through O—H⋯O hydrogen bonds and to the [Br<sub>8</sub>]<sup>2–</sup> anions through π⋯Br interactions that induce the creation of a supramolecular tri-periodic network. In addition, the presence of weak C—H⋯Br contacts leads to the creation of layers, which align parallel to (11 <figure><img></figure> ).</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"79 11\",\"pages\":\"Pages 977-981\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2023-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626950/pdf/\",\"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/S2056989023003304\",\"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/S2056989023003304","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide
The structure of the title compound is composed of rare Z-shaped octabromide anions embedded within N-methylnicotinic acid cations.
The crystal structure of the title salt, bis(3-carboxy-1-methylpyridinium) octabromide, 2C7H8NO2+·Br82−, consists of 3-carboxy-1-methylpyridinium (N-methylnicotinic acid) cations, which are stacked between relatively rare [Br8]2– anions. The polybromide [Br8]2– anion has point group symmetry and can be described as being composed of two [Br3]− anions connected with a Br2 molecule in a Z-shaped manner. Contacts between neighboring octabromide anions ensure the creation of pseudo-polymeric chains propagating along [111]. The organic cations are located between anionic chains and are connected to each other through O—H⋯O hydrogen bonds and to the [Br8]2– anions through π⋯Br interactions that induce the creation of a supramolecular tri-periodic network. In addition, the presence of weak C—H⋯Br contacts leads to the creation of layers, which align parallel to (11 ).
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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