| Synthesis and Crystal Structure of 3-（4-Ethoxyphenyl）-6-（phenoxymethyl）-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
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| 作者姓名： | LEI Xin-Xiang LIU Miao-Chang XIAO Hong-Ping ZHANG An-Jiang ZHANG Li-Xue |
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| 作者单位： | School of Chemistry and Materials Engineering, Wenzhou University, Zhejiang 325027, China |
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| 摘 要： | The title compound C18H16N4O2S has been synthesized by the reaction of 4-amino-3-(4-ethoxyphenyl)-5-mercapto-1,2,4-triazole with phenoxyacetic acid in phospho- rus oxychloride, and characterized by IR, NMR spectra and elemental analysis. Its structure was determined by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 1.4903(3), b = 1.5230(2), c = 0.9615(16) nm, Z = 4, V = 1.7769(5) nm3, Dc = 1.317 g/cm3, μ = 0.201 mm-1, F(000) = 736, R = 0.0795 and wR = 0.2233. In the title compound, all rings are essentially planar.
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| 关 键 词： | 三唑 噻重氮 合成 晶体结构 光谱特性 |
| 收稿时间： | 2006-08-31 |
| 修稿时间： | 2006-08-312006-11-07 |
Synthesis and Crystal Structure of 3-(4-Ethoxyphenyl)-6-(phenoxymethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
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| LEI Xin-Xiang LIU Miao-Chang XIAO Hong-Ping ZHANG An-Jiang ZHANG Li-Xue.Synthesis and Crystal Structure of 3-(4-Ethoxyphenyl)-6-(phenoxymethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole[J].Chinese Journal of Structural Chemistry,2007,26(5):567-571. |
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| Authors: | LEI Xin-Xiang LIU Miao-Chang XIAO Hong-Ping ZHANG An-Jiang ZHANG Li-Xue |
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| Abstract: | The title compound C18H16N4O2S has been synthesized by the reaction of 4-amino-3-(4-ethoxyphenyl)-5-mercapto-1,2,4-triazole with phenoxyacetic acid in phospho- rus oxychloride, and characterized by IR, NMR spectra and elemental analysis. Its structure was determined by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 1.4903(3), b = 1.5230(2), c = 0.9615(16) nm, Z = 4, V = 1.7769(5) nm3, Dc = 1.317 g/cm3, ( = 0.201 mm-1, F(000) = 736, R = 0.0795 and wR = 0.2233. In the title compound, all rings are essentially planar. |
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| Keywords: | X-ray diffraction crystal structure synthesis spectral characterization thiadiazole Crystal Structure Synthesis rings planar space group structure diffraction spectra elemental analysis characterized phenoxyacetic acid compound synthesized reaction |
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