{"title":"p-xylene@silicalite-1晶体结构。","authors":"In-Chul Hwang","doi":"10.1107/S2056989024011642","DOIUrl":null,"url":null,"abstract":"<p><p>The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight mol-ecules of <i>p</i>-xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical Si<sub>24</sub>O<sub>48</sub>·2C<sub>8</sub>H<sub>10</sub> subunits per unit cell are observed. The <i>p</i>-xylene mol-ecules sit at two different positions within the SL-1 channels. The first mol-ecule is located at the inter-section of the sinusoidal and straight channels, while the second guest mol-ecule is positioned in the center of the double ten-membered ring (10-MR) of the sinusoidal channel.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"6-10"},"PeriodicalIF":0.5000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701763/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of <i>p</i>-xylene@silicalite-1.\",\"authors\":\"In-Chul Hwang\",\"doi\":\"10.1107/S2056989024011642\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight mol-ecules of <i>p</i>-xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical Si<sub>24</sub>O<sub>48</sub>·2C<sub>8</sub>H<sub>10</sub> subunits per unit cell are observed. The <i>p</i>-xylene mol-ecules sit at two different positions within the SL-1 channels. The first mol-ecule is located at the inter-section of the sinusoidal and straight channels, while the second guest mol-ecule is positioned in the center of the double ten-membered ring (10-MR) of the sinusoidal channel.</p>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 Pt 1\",\"pages\":\"6-10\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2025-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701763/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2056989024011642\",\"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://doi.org/10.1107/S2056989024011642","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight mol-ecules of p-xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical Si24O48·2C8H10 subunits per unit cell are observed. The p-xylene mol-ecules sit at two different positions within the SL-1 channels. The first mol-ecule is located at the inter-section of the sinusoidal and straight channels, while the second guest mol-ecule is positioned in the center of the double ten-membered ring (10-MR) of the sinusoidal channel.
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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