Jean Guillon, Maria de Fatima Pereira-Rosenfeld, Noël Pinaud, Thierry Besson, V. Thiéry, Laurent Picot, Mathieu Marchivie
{"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}
引用次数: 3595
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.
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