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首页> 外文期刊>Crystals >Synthesis and Crystal Structure of 1-(3-fluorophenyl)-3-(3,4,5- trimethoxybenzoyl)thiourea
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Synthesis and Crystal Structure of 1-(3-fluorophenyl)-3-(3,4,5- trimethoxybenzoyl)thiourea

机译:1-(3-氟苯基)-3-(3,4,5-三甲氧基苯甲酰基)硫脲的合成和晶体结构

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摘要

The title thiourea was synthesized by reaction of 3,4,5-trimethoxybenzoyl isothiocyante with 3-fluoroaniline. The 3,4,5-trimethoxybenzoyl isothiocyante was produced in situ by reaction of 3,4,5-trimethoxybenzoyl chloride with ammonium thiocyanate in dry acetonitrile. The structure was confirmed by the spectroscopic, elemental analysis and single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 13.0966(9), b = 16.6460(13), c = 7.8448(5), β = 106.721(5)°, V 1637.9(2) Å3, Z = 4.
机译:通过3,4,5-三甲氧基苯甲酰基异硫氰酸酯与3-氟苯胺的反应合成标题硫脲。通过使3,4,5-三甲氧基苯甲酰氯与硫氰酸铵在干燥的乙腈中反应,原位生成3,4,5-三甲氧基苯甲酰基异硫氰酸酯。通过光谱学,元素分析和单晶X射线衍射数据证实了该结构。它在单斜晶空间群P2 1 / c中结晶,晶胞尺寸为a = 13.0966(9),b = 16.6460(13),c = 7.8448(5),β= 106.721(5)° ,V 1637.9(2)Å 3 ,Z = 4。

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