{"title":"The crystal structure of 3-hydroxy-3-isobutyl-2-pyrrolidone-5-carboxylic acid, lactam of 4-hydroxy-4-isobutylglutamic acid from Reseda odorata L.","authors":"K Kaas, H Sorensen","doi":"10.3891/acta.chem.scand.31a-0364","DOIUrl":null,"url":null,"abstract":"<p><p>The relative configuration of 3-hydroxy-3-isobutyl-2-pyrrolidone-5-carboxylic acid has been determined by an X-ray crystal structure analysis. The compound crystallized in space group P212121 with two molecules in the asymmetric unit. a=16.023(3) A, b=19.349(7) A, c=6.9053(16) A. The structure was solved by direct methods using MULTAN and refined by full-matrix least-squares technique to an R of 0.137 for 645 diffractometer-collected intensities. The absolute configurations of the title compounds were deduced; the configuration of the amino acid and the lactam are 2(S), 4(S) and 3(S), 5(S), respectively.</p>","PeriodicalId":75375,"journal":{"name":"Acta chemica Scandinavica. Series A: Physical and inorganic chemistry","volume":"31 5","pages":"364-8"},"PeriodicalIF":0.0000,"publicationDate":"1977-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta chemica Scandinavica. Series A: Physical and inorganic chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3891/acta.chem.scand.31a-0364","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2
Abstract
The relative configuration of 3-hydroxy-3-isobutyl-2-pyrrolidone-5-carboxylic acid has been determined by an X-ray crystal structure analysis. The compound crystallized in space group P212121 with two molecules in the asymmetric unit. a=16.023(3) A, b=19.349(7) A, c=6.9053(16) A. The structure was solved by direct methods using MULTAN and refined by full-matrix least-squares technique to an R of 0.137 for 645 diffractometer-collected intensities. The absolute configurations of the title compounds were deduced; the configuration of the amino acid and the lactam are 2(S), 4(S) and 3(S), 5(S), respectively.
用x射线晶体结构分析确定了3-羟基-3-异丁基-2-吡咯烷酮-5-羧酸的相对构型。该化合物在P212121空间群中结晶，两个分子在不对称单元中。a=16.023(3) a, b=19.349(7) a, c=6.9053(16) a。利用MULTAN直接求解，利用全矩阵最小二乘技术对645个衍射仪采集的光强进行细化，R值为0.137。推导了标题化合物的绝对构型;氨基酸和内酰胺的构型分别为2(S)、4(S)和3(S)、5(S)。
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