{"title":"一种来自具有生物活性的化合物吡啶-2,3-二羧酸(喹啉酸)和胞嘧啶的盐。","authors":"Olga Książkiewicz","doi":"10.1107/S2053229624009598","DOIUrl":null,"url":null,"abstract":"<p><p>Biologically active compounds are highly sought-after materials for developing novel structures applicable to industry. Cytosine and pyridine-2,3-dicarboxylic acid (quinolinic acid) are notably significant environmentally. Cytosine, a pyrimidine derivative, features a six-membered ring with a ketone and an amino group, constituting a fundamental nitrogenous base found in deoxyribonucleic acid (DNA). The present synthesis yielded a salt of dipyridine-2,3-dicarboxylic acid with cytosine, wherein a proton was transferred from a carboxyl group of quinolinic acid to a ring N atom in the cytosine molecule giving the salt 6-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypyridine-2-carboxylate, C<sub>4</sub>H<sub>6</sub>N<sub>3</sub>O<sup>+</sup>·C<sub>7</sub>H<sub>4</sub>NO<sub>4</sub><sup>-</sup>. A Hirshfeld surface analysis was conducted to examine the contribution of contacts within the salt. The structure of the salt was compared to other structures containing quinolinic acid in the Cambridge Structural Database (CSD).</p>","PeriodicalId":7115,"journal":{"name":"Acta Crystallographica Section C Structural Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A salt from biologically active compounds pyridine-2,3-dicarboxylic (quinolinic) acid and cytosine.\",\"authors\":\"Olga Książkiewicz\",\"doi\":\"10.1107/S2053229624009598\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Biologically active compounds are highly sought-after materials for developing novel structures applicable to industry. Cytosine and pyridine-2,3-dicarboxylic acid (quinolinic acid) are notably significant environmentally. Cytosine, a pyrimidine derivative, features a six-membered ring with a ketone and an amino group, constituting a fundamental nitrogenous base found in deoxyribonucleic acid (DNA). The present synthesis yielded a salt of dipyridine-2,3-dicarboxylic acid with cytosine, wherein a proton was transferred from a carboxyl group of quinolinic acid to a ring N atom in the cytosine molecule giving the salt 6-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypyridine-2-carboxylate, C<sub>4</sub>H<sub>6</sub>N<sub>3</sub>O<sup>+</sup>·C<sub>7</sub>H<sub>4</sub>NO<sub>4</sub><sup>-</sup>. A Hirshfeld surface analysis was conducted to examine the contribution of contacts within the salt. The structure of the salt was compared to other structures containing quinolinic acid in the Cambridge Structural Database (CSD).</p>\",\"PeriodicalId\":7115,\"journal\":{\"name\":\"Acta Crystallographica Section C Structural Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2024-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section C Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S2053229624009598\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/10/11 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section C Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2053229624009598","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/10/11 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
生物活性化合物是开发适用于工业的新型结构的热门材料。胞嘧啶和吡啶-2,3-二羧酸(喹啉酸)在环境中的作用尤为显著。胞嘧啶是一种嘧啶衍生物,具有一个带有酮和氨基的六元环,是脱氧核糖核酸(DNA)中的基本含氮碱基。本合成法得到了二吡啶-2,3-二羧酸与胞嘧啶的盐,其中质子从喹啉酸的羧基转移到胞嘧啶分子中的环 N 原子上,得到了 6-氨基-2-氧代-2,3-二氢嘧啶-1-鎓 3-羧基吡啶-2-羧酸盐 C4H6N3O+-C7H4NO4-。对该盐进行了 Hirshfeld 表面分析,以研究其内部接触的贡献。该盐的结构与剑桥结构数据库(CSD)中含有喹啉酸的其他结构进行了比较。
A salt from biologically active compounds pyridine-2,3-dicarboxylic (quinolinic) acid and cytosine.
Biologically active compounds are highly sought-after materials for developing novel structures applicable to industry. Cytosine and pyridine-2,3-dicarboxylic acid (quinolinic acid) are notably significant environmentally. Cytosine, a pyrimidine derivative, features a six-membered ring with a ketone and an amino group, constituting a fundamental nitrogenous base found in deoxyribonucleic acid (DNA). The present synthesis yielded a salt of dipyridine-2,3-dicarboxylic acid with cytosine, wherein a proton was transferred from a carboxyl group of quinolinic acid to a ring N atom in the cytosine molecule giving the salt 6-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypyridine-2-carboxylate, C4H6N3O+·C7H4NO4-. A Hirshfeld surface analysis was conducted to examine the contribution of contacts within the salt. The structure of the salt was compared to other structures containing quinolinic acid in the Cambridge Structural Database (CSD).
期刊介绍:
Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.