• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of chemical crystallography >Reaction of dichloromaleic anhydride with 1,8-diaminonaphthalene: Synthesis and X-ray diffraction structure of 8,9-dichloropyrrolo[1,2-a]perimidin-10-one
【24h】

Reaction of dichloromaleic anhydride with 1,8-diaminonaphthalene: Synthesis and X-ray diffraction structure of 8,9-dichloropyrrolo[1,2-a]perimidin-10-one

机译：二氯马来酸酐与1,8-二氨基萘的反应：8,9-二氯吡咯并[1,2-a] perimidin-10-one的合成和X射线衍射结构

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The reaction of dichloromaleic anhydride with 1,8-diaminonaphthalene in refluxing toluene or 1,2-dichloroethane produces the new heterocyclic compound 8,9-dichloropyrrolo[1,2-a] perimidin-10-one in low yields. 8,9-Dichloropyrrolo[1,2-a] perimidin-10-one has been isolated by column chromatography and characterized in solution by IR, H-1 NMR, and UV/vis spectroscopies. The solid-state structure was unequivocally established by single-crystal X-ray diffraction analysis. 8,9-Dichloropyrrolo[1,2-a] perimidin-10-one crystallizes in the monoclinic space group P2(1)/c, a=7.475(1)Angstrom, b=10.650(2)Angstrom, c=14.468(2)Angstrom, beta=94.478(2)degrees, V=1148.3(3)Angstrom(3), Z=4, and d(calc)=1.672 Mg/m(3); R=0.0289, R-w=0.0762 for 1644 reflections with I>2sigma(I). The nature of the HOMO and LUMO in 8,9-dichloropyrrolo[ 1,2-a] perimidin-10-one has been determined by extended Huckel molecular orbital calculations, and these data are discussed relative to the cyclic voltammetric data obtained at a platinum electrode.
机译：二氯马来酸酐与1,8-二氨基萘在回流的甲苯或1,2-二氯乙烷中的反应以低收率产生了新的杂环化合物8,9-二氯吡咯并[1,2-a]哌啶丁-10。已通过柱色谱法分离了8,9-二氯吡咯并[1,2-a]哌啶丁-10-one，并通过IR，H-1 NMR和UV / vis光谱对溶液进行了表征。通过单晶X射线衍射分析明确地建立了固态结构。 8,9-Dichloropyrrolo [1,2-a] permidin-10-one在单斜空间群P2（1）/ c中结晶，a = 7.475（1）埃，b = 10.650（2）埃，c = 14.468（ 2）埃，β= 94.478（2）度，V = 1148.3（3）埃（3），Z = 4，d（计算）= 1.672 Mg / m（3）;对于I> 2sigma（I）的1644次反射，R = 0.0289，R-w = 0.0762。通过扩展的Huckel分子轨道计算确定了8,9-dichloropyrrolo [1,2-a] perimidin-10-one中HOMO和LUMO的性质，并讨论了相对于铂获得的循环伏安数据的这些数据。电极。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号