{"title":"由三聚氰胺和脂肪族羧酸组装而成的三种三维超分子有机盐：制备、晶体表征和希尔施菲尔德表面分析","authors":"Zhaozhi Li, Xuele Lin, Xingjun Gao, Shouwen Jin, Xusen Gong, Daqi Wang","doi":"10.1007/s10870-024-01014-5","DOIUrl":null,"url":null,"abstract":"<div><p>Three crystalline organic salts (melamine)<sub>2</sub>: (itaconic acid): 3H<sub>2</sub>O [(Hmem)<sub>2</sub><sup>2+</sup>·(itca<sup>2−</sup>)·(H<sub>2</sub>O)<sub>3</sub>, itca<sup>2−</sup> = itaconate] <b>(1)</b>, (melamine)<sub>2</sub>:(2-bromo-but-2-enedioic acid):DMF:2H<sub>2</sub>O [(Hmem<sup>+</sup>)<sub>2</sub>·(bbda<sup>2−</sup>)·DMF·(H<sub>2</sub>O)<sub>2</sub>, bbda<sup>2−</sup> = 2-bromo-but-2-enedioate] <b>(2)</b> and (melamine):(α-ketoglutaric acid) [(Hmem<sup>+</sup>)·(Hketglua<sup>−</sup>), Hketglua<sup>−</sup> = hydrogen α-ketoglutarate] <b>(3)</b> were featured by X-ray diffraction analysis, IR, mp, and elemental analysis. Significant non-covalent interactions were calculated by means of the Hirshfeld surface analysis. All salts involve extensive N–H···OH-bonds as well as other non-covalent associations. The melamine polymers/dimers were set up at <b>1</b>–<b>2</b>/<b>3</b> by the pair of complmentary N–H···NH-bonds. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, all salts exhibited 3D framework motifs.</p><h3>Graphical Abstract</h3><p>The crystal structures of the salts from melamine, itaconic acid, 2-bromo-but-2-enedioic acid and α-ketoglutaric acid are predominantly stabilized by the classical hydrogen bonds as well as CH2···O, CH3···O, Br···Br, C···C, O···C, and π···π interactions.\n</p><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":"209 - 224"},"PeriodicalIF":0.4000,"publicationDate":"2024-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Three 3D Supramolecular Organic Salts Assembled from Melamine and Aliphatic Carboxylic Acids: Preparation, Crystallographic Characterization, and Hirshfeld Surface Analysis\",\"authors\":\"Zhaozhi Li, Xuele Lin, Xingjun Gao, Shouwen Jin, Xusen Gong, Daqi Wang\",\"doi\":\"10.1007/s10870-024-01014-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Three crystalline organic salts (melamine)<sub>2</sub>: (itaconic acid): 3H<sub>2</sub>O [(Hmem)<sub>2</sub><sup>2+</sup>·(itca<sup>2−</sup>)·(H<sub>2</sub>O)<sub>3</sub>, itca<sup>2−</sup> = itaconate] <b>(1)</b>, (melamine)<sub>2</sub>:(2-bromo-but-2-enedioic acid):DMF:2H<sub>2</sub>O [(Hmem<sup>+</sup>)<sub>2</sub>·(bbda<sup>2−</sup>)·DMF·(H<sub>2</sub>O)<sub>2</sub>, bbda<sup>2−</sup> = 2-bromo-but-2-enedioate] <b>(2)</b> and (melamine):(α-ketoglutaric acid) [(Hmem<sup>+</sup>)·(Hketglua<sup>−</sup>), Hketglua<sup>−</sup> = hydrogen α-ketoglutarate] <b>(3)</b> were featured by X-ray diffraction analysis, IR, mp, and elemental analysis. Significant non-covalent interactions were calculated by means of the Hirshfeld surface analysis. All salts involve extensive N–H···OH-bonds as well as other non-covalent associations. The melamine polymers/dimers were set up at <b>1</b>–<b>2</b>/<b>3</b> by the pair of complmentary N–H···NH-bonds. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, all salts exhibited 3D framework motifs.</p><h3>Graphical Abstract</h3><p>The crystal structures of the salts from melamine, itaconic acid, 2-bromo-but-2-enedioic acid and α-ketoglutaric acid are predominantly stabilized by the classical hydrogen bonds as well as CH2···O, CH3···O, Br···Br, C···C, O···C, and π···π interactions.\\n</p><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\":\"209 - 224\"},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2024-04-12\",\"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/s10870-024-01014-5\",\"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/s10870-024-01014-5","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Three 3D Supramolecular Organic Salts Assembled from Melamine and Aliphatic Carboxylic Acids: Preparation, Crystallographic Characterization, and Hirshfeld Surface Analysis
Three crystalline organic salts (melamine)2: (itaconic acid): 3H2O [(Hmem)22+·(itca2−)·(H2O)3, itca2− = itaconate] (1), (melamine)2:(2-bromo-but-2-enedioic acid):DMF:2H2O [(Hmem+)2·(bbda2−)·DMF·(H2O)2, bbda2− = 2-bromo-but-2-enedioate] (2) and (melamine):(α-ketoglutaric acid) [(Hmem+)·(Hketglua−), Hketglua− = hydrogen α-ketoglutarate] (3) were featured by X-ray diffraction analysis, IR, mp, and elemental analysis. Significant non-covalent interactions were calculated by means of the Hirshfeld surface analysis. All salts involve extensive N–H···OH-bonds as well as other non-covalent associations. The melamine polymers/dimers were set up at 1–2/3 by the pair of complmentary N–H···NH-bonds. The role of these non-covalent interactions in the crystal packing is ascertained. These weak interactions combined, all salts exhibited 3D framework motifs.
Graphical Abstract
The crystal structures of the salts from melamine, itaconic acid, 2-bromo-but-2-enedioic acid and α-ketoglutaric acid are predominantly stabilized by the classical hydrogen bonds as well as CH2···O, CH3···O, Br···Br, C···C, O···C, and π···π interactions.
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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