{"title":"含 N-(3-溴丙基)-N'-硫醚二官能化咪唑-2-亚基的 N-杂环羰基钯螯合物的合成及其晶体结构","authors":"Yongmei Xiao, Yaowen Liu, Liangru Yang, Yingjun Wang, Jinwei Yuan, Lingbo Qu","doi":"10.1007/s10870-024-01012-7","DOIUrl":null,"url":null,"abstract":"<div><p>A chelating <i>N</i>-heterocyclic carbene palladium complex (<b>3</b>) containing <i>N</i>-(3-bromopropyl)-<i>N’</i>-thioether di-functionalized imidazol-2-ylidene was synthesized by the direct metalation of <i>N</i>-(3-bromopropyl)-<i>N’</i>-thioether di-functionalized imidazolium bromide (<b>2</b>) with Pd(OAc)<sub>2</sub> in the presence of NaOAc and NaBr at room temperature using CH<sub>2</sub>Cl<sub>2</sub> as solvent. The structure was characterized by NMR, HR-MS and X-ray crystallography. The results showed that complex <b>3</b> consists of two independent molecules with configuration of <i>S</i><sub>C</sub>, <i>R</i><sub>S</sub> in molecule a, and <i>S</i><sub>C</sub>, S<sub>S</sub> in molecule b, respectively. The crystal is triclinic, P1 space group, with a = 8.4815(3), b = 8.6338(3), c = 19.2371(7) Å, V = 1245.66(8) Å<sup>3</sup>, and Z = 2 (at 293(2)K).</p><h3>Graphical Abstract</h3><p>A chelating <i>N</i>-heterocyclic carbene palladium complex (<b>3</b>) consists of two independent molecules with configurations of <i>S</i><sub>C</sub>, <i>R</i><sub>S</sub> and <i>S</i><sub>C</sub>, S<sub>S</sub> respectively has been synthesized through the direct metalation of the precursor imidazolium bromide (<b>2</b>).</p>\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"54 3","pages":"197 - 202"},"PeriodicalIF":0.6000,"publicationDate":"2024-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis and Crystal Structure of a Chelating N-Heterocyclic Carbene Palladium Complex Containing N-(3-Bromopropyl)-N’-thioether di-functionalized Imidazol-2-ylidene\",\"authors\":\"Yongmei Xiao, Yaowen Liu, Liangru Yang, Yingjun Wang, Jinwei Yuan, Lingbo Qu\",\"doi\":\"10.1007/s10870-024-01012-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A chelating <i>N</i>-heterocyclic carbene palladium complex (<b>3</b>) containing <i>N</i>-(3-bromopropyl)-<i>N’</i>-thioether di-functionalized imidazol-2-ylidene was synthesized by the direct metalation of <i>N</i>-(3-bromopropyl)-<i>N’</i>-thioether di-functionalized imidazolium bromide (<b>2</b>) with Pd(OAc)<sub>2</sub> in the presence of NaOAc and NaBr at room temperature using CH<sub>2</sub>Cl<sub>2</sub> as solvent. The structure was characterized by NMR, HR-MS and X-ray crystallography. The results showed that complex <b>3</b> consists of two independent molecules with configuration of <i>S</i><sub>C</sub>, <i>R</i><sub>S</sub> in molecule a, and <i>S</i><sub>C</sub>, S<sub>S</sub> in molecule b, respectively. The crystal is triclinic, P1 space group, with a = 8.4815(3), b = 8.6338(3), c = 19.2371(7) Å, V = 1245.66(8) Å<sup>3</sup>, and Z = 2 (at 293(2)K).</p><h3>Graphical Abstract</h3><p>A chelating <i>N</i>-heterocyclic carbene palladium complex (<b>3</b>) consists of two independent molecules with configurations of <i>S</i><sub>C</sub>, <i>R</i><sub>S</sub> and <i>S</i><sub>C</sub>, S<sub>S</sub> respectively has been synthesized through the direct metalation of the precursor imidazolium bromide (<b>2</b>).</p>\\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>\",\"PeriodicalId\":615,\"journal\":{\"name\":\"Journal of Chemical Crystallography\",\"volume\":\"54 3\",\"pages\":\"197 - 202\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2024-04-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Crystallography\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10870-024-01012-7\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Crystallography","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10870-024-01012-7","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Synthesis and Crystal Structure of a Chelating N-Heterocyclic Carbene Palladium Complex Containing N-(3-Bromopropyl)-N’-thioether di-functionalized Imidazol-2-ylidene
A chelating N-heterocyclic carbene palladium complex (3) containing N-(3-bromopropyl)-N’-thioether di-functionalized imidazol-2-ylidene was synthesized by the direct metalation of N-(3-bromopropyl)-N’-thioether di-functionalized imidazolium bromide (2) with Pd(OAc)2 in the presence of NaOAc and NaBr at room temperature using CH2Cl2 as solvent. The structure was characterized by NMR, HR-MS and X-ray crystallography. The results showed that complex 3 consists of two independent molecules with configuration of SC, RS in molecule a, and SC, SS in molecule b, respectively. The crystal is triclinic, P1 space group, with a = 8.4815(3), b = 8.6338(3), c = 19.2371(7) Å, V = 1245.66(8) Å3, and Z = 2 (at 293(2)K).
Graphical Abstract
A chelating N-heterocyclic carbene palladium complex (3) consists of two independent molecules with configurations of SC, RS and SC, SS respectively has been synthesized through the direct metalation of the precursor imidazolium bromide (2).
期刊介绍：
Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
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