6,7-二氢-5a,7a,13,14-四氮杂-五苯-5,8-二酮的晶体结构

IF 0.1 Q4 CRYSTALLOGRAPHY
Jean Guillon, Maria de Fatima Pereira-Rosenfeld, Noël Pinaud, Thierry Besson, V. Thiéry, Laurent Picot, Mathieu Marchivie
{"title":"6,7-二氢-5a,7a,13,14-四氮杂-五苯-5,8-二酮的晶体结构","authors":"Jean Guillon, Maria de Fatima Pereira-Rosenfeld, Noël Pinaud, Thierry Besson, V. Thiéry, Laurent Picot, Mathieu Marchivie","doi":"10.2116/xraystruct.35.57","DOIUrl":null,"url":null,"abstract":"The X-ray crystal structure of 6,7-dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione, a potential antiproliferative agent on A2058 melanoma cells, was established. It crystallizes in the monoclinic space group P21/c with cell parameters a = 24.879(3)A, b = 6.868(2)A, c = 26.068(4A, α = 90, β = 110.49(2), γ = 90, V = 4172.4(15)A3 and Z = 12. The crystal structure was refined to final values of R1 = 0.1353 and wR2 = 0.1936. An X-ray crystal structure analysis revealed that each molecule features intermolecular CArom.–H···O hydrogen bonds to form trimers.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.1000,"publicationDate":"2019-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2116/xraystruct.35.57","citationCount":"3595","resultStr":"{\"title\":\"Crystal Structure of 6,7-Dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione\",\"authors\":\"Jean Guillon, Maria de Fatima Pereira-Rosenfeld, Noël Pinaud, Thierry Besson, V. Thiéry, Laurent Picot, Mathieu Marchivie\",\"doi\":\"10.2116/xraystruct.35.57\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The X-ray crystal structure of 6,7-dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione, a potential antiproliferative agent on A2058 melanoma cells, was established. It crystallizes in the monoclinic space group P21/c with cell parameters a = 24.879(3)A, b = 6.868(2)A, c = 26.068(4A, α = 90, β = 110.49(2), γ = 90, V = 4172.4(15)A3 and Z = 12. The crystal structure was refined to final values of R1 = 0.1353 and wR2 = 0.1936. An X-ray crystal structure analysis revealed that each molecule features intermolecular CArom.–H···O hydrogen bonds to form trimers.\",\"PeriodicalId\":23922,\"journal\":{\"name\":\"X-ray Structure Analysis Online\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.1000,\"publicationDate\":\"2019-10-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.2116/xraystruct.35.57\",\"citationCount\":\"3595\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/xraystruct.35.57\",\"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":"X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/xraystruct.35.57","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 3595

摘要

建立了具有抗A2058黑色素瘤细胞增殖潜力的6,7-二氢-5a,7a,13,14-四氮杂-五苯-5,8-二酮的x射线晶体结构。晶胞参数为a = 24.879(3) a, b = 6.868(2) a, c = 26.068(4A), α = 90, β = 110.49(2), γ = 90, V = 4172.4(15)A3, Z = 12。晶体结构细化至最终值R1 = 0.1353, wR2 = 0.1936。x射线晶体结构分析显示,每个分子都具有分子间的CArom。-H···O氢键形成三聚体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal Structure of 6,7-Dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione
The X-ray crystal structure of 6,7-dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione, a potential antiproliferative agent on A2058 melanoma cells, was established. It crystallizes in the monoclinic space group P21/c with cell parameters a = 24.879(3)A, b = 6.868(2)A, c = 26.068(4A, α = 90, β = 110.49(2), γ = 90, V = 4172.4(15)A3 and Z = 12. The crystal structure was refined to final values of R1 = 0.1353 and wR2 = 0.1936. An X-ray crystal structure analysis revealed that each molecule features intermolecular CArom.–H···O hydrogen bonds to form trimers.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
0.60
自引率
50.00%
发文量
17
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信