Sharath Mohan, Arto Valkonen, Kari Rissanen and Jas S. Ward
{"title":"烟酰胺†的分级碘(i)配合物","authors":"Sharath Mohan, Arto Valkonen, Kari Rissanen and Jas S. Ward","doi":"10.1039/D5CE00339C","DOIUrl":null,"url":null,"abstract":"<p >The incorporation of the 3-substituted pyridine derivative nicotinamide (<strong>1</strong>) into an iodine(<small>I</small>) complex gave the hierarchical iodine(<small>I</small>) complex, [I(nicotinamide)<small><sub>2</sub></small>]PF<small><sub>6</sub></small> (<strong>3</strong>), synthesised through cation exchange with I<small><sub>2</sub></small> of the respective silver(<small>I</small>) complex, [Ag(nicotinamide)<small><sub>2</sub></small>]PF<small><sub>6</sub></small> (<strong>2</strong>). Complex <strong>3</strong> was characterised in both solution (<small><sup>1</sup></small>H, <small><sup>1</sup></small>H–<small><sup>15</sup></small>N HMBC), and extensively in the solid state by single-crystal X-ray diffraction (SCXRD) due to the various polymorphs and solvates observed. As only the second example of a hierarchical halogen(<small>I</small>) complex, analysis of the different hydrogen-bonding networks present in the solid-state variants of <strong>3</strong> allowed the relationship between the halogen and hydrogen bonding to be explored in more depth. The presence of the hydrogen bonds in the non-solvated solid-state structure of <strong>3</strong> (<strong>3_NS</strong>) was found to impart increased resilience to H<small><sub>2</sub></small>O and acetic acid, all without diminishing its reactivity as an iodination reagent in comparison to Barluenga's reagent ([I(pyridine)<small><sub>2</sub></small>]BF<small><sub>4</sub></small>), as demonstrated <em>via</em> solution and mechanochemical reactivity studies with antipyrine.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":" 20","pages":" 3295-3301"},"PeriodicalIF":2.6000,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d5ce00339c?page=search","citationCount":"0","resultStr":"{\"title\":\"Hierarchical iodine(i) complexes of nicotinamide†\",\"authors\":\"Sharath Mohan, Arto Valkonen, Kari Rissanen and Jas S. Ward\",\"doi\":\"10.1039/D5CE00339C\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The incorporation of the 3-substituted pyridine derivative nicotinamide (<strong>1</strong>) into an iodine(<small>I</small>) complex gave the hierarchical iodine(<small>I</small>) complex, [I(nicotinamide)<small><sub>2</sub></small>]PF<small><sub>6</sub></small> (<strong>3</strong>), synthesised through cation exchange with I<small><sub>2</sub></small> of the respective silver(<small>I</small>) complex, [Ag(nicotinamide)<small><sub>2</sub></small>]PF<small><sub>6</sub></small> (<strong>2</strong>). Complex <strong>3</strong> was characterised in both solution (<small><sup>1</sup></small>H, <small><sup>1</sup></small>H–<small><sup>15</sup></small>N HMBC), and extensively in the solid state by single-crystal X-ray diffraction (SCXRD) due to the various polymorphs and solvates observed. As only the second example of a hierarchical halogen(<small>I</small>) complex, analysis of the different hydrogen-bonding networks present in the solid-state variants of <strong>3</strong> allowed the relationship between the halogen and hydrogen bonding to be explored in more depth. The presence of the hydrogen bonds in the non-solvated solid-state structure of <strong>3</strong> (<strong>3_NS</strong>) was found to impart increased resilience to H<small><sub>2</sub></small>O and acetic acid, all without diminishing its reactivity as an iodination reagent in comparison to Barluenga's reagent ([I(pyridine)<small><sub>2</sub></small>]BF<small><sub>4</sub></small>), as demonstrated <em>via</em> solution and mechanochemical reactivity studies with antipyrine.</p>\",\"PeriodicalId\":70,\"journal\":{\"name\":\"CrystEngComm\",\"volume\":\" 20\",\"pages\":\" 3295-3301\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2025-04-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.rsc.org/en/content/articlepdf/2025/ce/d5ce00339c?page=search\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"CrystEngComm\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2025/ce/d5ce00339c\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"CrystEngComm","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/ce/d5ce00339c","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
The incorporation of the 3-substituted pyridine derivative nicotinamide (1) into an iodine(I) complex gave the hierarchical iodine(I) complex, [I(nicotinamide)2]PF6 (3), synthesised through cation exchange with I2 of the respective silver(I) complex, [Ag(nicotinamide)2]PF6 (2). Complex 3 was characterised in both solution (1H, 1H–15N HMBC), and extensively in the solid state by single-crystal X-ray diffraction (SCXRD) due to the various polymorphs and solvates observed. As only the second example of a hierarchical halogen(I) complex, analysis of the different hydrogen-bonding networks present in the solid-state variants of 3 allowed the relationship between the halogen and hydrogen bonding to be explored in more depth. The presence of the hydrogen bonds in the non-solvated solid-state structure of 3 (3_NS) was found to impart increased resilience to H2O and acetic acid, all without diminishing its reactivity as an iodination reagent in comparison to Barluenga's reagent ([I(pyridine)2]BF4), as demonstrated via solution and mechanochemical reactivity studies with antipyrine.
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