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首页> 外文期刊>European Chemical Bulletin >SYNTHESIS, SPECTROSCOPIC CHARACTERIZATION, X-RAY ANALYSIS OF DMSO SOLVATED 5'-CHLORO-1H,1'H-[3,3':3',3'-TERINDOL]-2'(1'H)-ONE
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SYNTHESIS, SPECTROSCOPIC CHARACTERIZATION, X-RAY ANALYSIS OF DMSO SOLVATED 5'-CHLORO-1H,1'H-[3,3':3',3'-TERINDOL]-2'(1'H)-ONE

机译:DMSO固溶的5'-氯-1H,1“ H- [3,3':3',3”-三醇] -2'(1'H)-ONE的合成,光谱表征,X射线分析

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摘要

The title compound 5'-Chloro-1H,1"H-[3,3':3',3"-terindol]-2'(1'H)-one is synthesized via one-pot multicomponent reaction (MCR) at room temperature using commercially available sulfamic acid as inexpensive and environmentally benign organo-catalyst. It crystallizes in the monoclinic space group P2 1 with the unit-cell parameters: a = 15.3117(15), b = 10.9302(8), c = 16.591(2) ?, a = 90.00 o β = 98.224(10) ° , γ = 90.00 ° and Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0735 for 2539 observed reflections. Both the DMSO solvent molecules take part in the inter- and intramolecular interactions that are responsible for the formation of hydrogen bonded network. Two C-H???π inter-molecular hydrogen bonds are also present in the crystal structure.
机译:标题化合物5'-氯-1H,1“ H- [3,3':3',3” -terindol] -2'(1'H)-1是通过一锅多组分反应(MCR)在70℃合成的。在室温下,使用市售的氨基磺酸作为廉价且对环境无害的有机催化剂。它在单斜晶空间群P2 1 / n中以晶胞参数结晶:a = 15.3117(15),b = 10.9302(8),c = 16.591(2)?,a = 90.00 oβ= 98.224(10) °,γ= 90.00°,Z = 4。采用直接方法,使用在室温下收集的单晶X射线衍射数据解析晶体结构,并通过全矩阵最小二乘法将其精炼为最终R值0.0735对于2539个观察到的反射。 DMSO溶剂分子均参与分子间和分子内相互作用,这是氢键网络形成的原因。在晶体结构中也存在两个C-H ???π分子间氢键。

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