{"title":"1,4,7 - trithia - 10,13 -重氮环戊烷- 9,14 -二酮的晶体结构分析","authors":"Timothy M.E. Jugovic, Christopher G. Hamaker","doi":"10.1007/s10870-025-01054-5","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>The compound 1,4,7-trithia-10,13-diazacyclopentadecane-9,14-dione, <b>1</b>, crystallizes in the space group <i>P</i>2<sub>1</sub>/<i>c</i> with <i>a</i> = 9.3608(3) Å, <i>b</i> = 16.0333(5) Å, <i>c</i> = 9.5608(3) Å, <i>β</i> = 113.3521(14)°, and <i>Z</i> = 4. The title molecule forms chains via face-to-face N–H<sup>…</sup>O hydrogen bonds. The structure of <b>1</b> is also compared to the previously reported oxygen analog, 1,4,7-trioxa-10,13-diazacyclopentadecane-9,14-dione.</p>\n </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"55 4","pages":"244 - 250"},"PeriodicalIF":0.6000,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-025-01054-5.pdf","citationCount":"0","resultStr":"{\"title\":\"Crystal Structure Analysis of 1, 4, 7-Trithia-10, 13-diazacyclopentadecane-9, 14-dione\",\"authors\":\"Timothy M.E. Jugovic, Christopher G. Hamaker\",\"doi\":\"10.1007/s10870-025-01054-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>The compound 1,4,7-trithia-10,13-diazacyclopentadecane-9,14-dione, <b>1</b>, crystallizes in the space group <i>P</i>2<sub>1</sub>/<i>c</i> with <i>a</i> = 9.3608(3) Å, <i>b</i> = 16.0333(5) Å, <i>c</i> = 9.5608(3) Å, <i>β</i> = 113.3521(14)°, and <i>Z</i> = 4. The title molecule forms chains via face-to-face N–H<sup>…</sup>O hydrogen bonds. The structure of <b>1</b> is also compared to the previously reported oxygen analog, 1,4,7-trioxa-10,13-diazacyclopentadecane-9,14-dione.</p>\\n </div>\",\"PeriodicalId\":615,\"journal\":{\"name\":\"Journal of Chemical Crystallography\",\"volume\":\"55 4\",\"pages\":\"244 - 250\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2025-06-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10870-025-01054-5.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Crystallography\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10870-025-01054-5\",\"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/s10870-025-01054-5","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
摘要
化合物1,4,7-trithia-10,13-diazacyclopentadecane-9,14-dione, 1在P21/c空间群中结晶,a = 9.3608(3) Å, b = 16.0333(5) Å, c = 9.5608(3) Å, β = 113.3521(14)°,Z = 4。标题分子通过面对面的N-H…O氢键形成链。1的结构也与先前报道的氧类似物1,4,7-三氧-10,13-二氮环戊烷-9,14-二酮进行了比较。
Crystal Structure Analysis of 1, 4, 7-Trithia-10, 13-diazacyclopentadecane-9, 14-dione
The compound 1,4,7-trithia-10,13-diazacyclopentadecane-9,14-dione, 1, crystallizes in the space group P21/c with a = 9.3608(3) Å, b = 16.0333(5) Å, c = 9.5608(3) Å, β = 113.3521(14)°, and Z = 4. The title molecule forms chains via face-to-face N–H…O hydrogen bonds. The structure of 1 is also compared to the previously reported oxygen analog, 1,4,7-trioxa-10,13-diazacyclopentadecane-9,14-dione.
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.