Synthesis,Crystal Structure and Biological Activity of 1-(β-D-Glucopyranosyl)-3- amino-5-methyl-1H-1,2,4-triazole |
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引用本文: | 杨春龙,王先锋,金振鹏,孟范贵,徐水平.Synthesis,Crystal Structure and Biological Activity of 1-(β-D-Glucopyranosyl)-3- amino-5-methyl-1H-1,2,4-triazole[J].结构化学,2009,28(4):471-476. |
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作者姓名: | 杨春龙 王先锋 金振鹏 孟范贵 徐水平 |
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作者单位: | College fo Science,Nanjing Agricultural University,Nanjing 210095,China
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基金项目: | 江苏省自然科学基金,Science and Technology Development Foundation of Nanjing Agricultural University |
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摘 要: | The title compound 1-(β-D-glucopyranosyl)-3-amino-5-methyl- 1H- 1,2,4-triazole was synthesized and characterized by IR, 1H-NMR and elemental analysis. Its single crystals of 2H2O adduct suitable for X-ray analysis were obtained by the slow evaporation of a H2O solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group P212121 with a = 7.7490(15), b = 10.424(2), c = 17.447(4) A^°, V = 1409.3(5) A^°^3, Z= 4, C9H20N4O7, Mr = 296.29, Dc = 1.396 g/cm^3,μ = 0.120 mm^-1, S = 1.007, F(000) = 632, R = 0.0686 and wR = 0.1560 for 1217 observed reflections with I 〉 20(I). The title molecules are linked through intermolecular hydrogen bonds to form two 1-D chain structures, and such adjacent chains are further linked by intermolecular hydrogen bonds and H2O bridges to form a 3-D supramolecular network structure. The preliminary bioassay results showed that the title compound exhibits fungicidal activities against Gibberella zeae and Colletotrichum orbiculare.
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关 键 词: | 晶体结构 生物活性 葡萄糖基 合成 吡喃 氨基 三唑 单晶X射线衍射 |
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