| Synthesis and Crystal Structure of 2-（4-Fluoro-2-（4-fluorophenoxy）phenyl）-1-（1H- 1,2,4-triazol-1-ylmethyl）-3-methoxy-isopropy Alcohol |
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| 作者姓名： | XU Liang-Zhong GUO Wei SUN Shan-Qi ZHAI Zhi-Wei |
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| 作者单位： | College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, China |
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| 摘 要： | The title compound 2-（4-fluoro-2-（4-fluorophenoxy）phenyl）-1-（1H-1,2,4-triazol- 1-ylmethyl）-3-methoxy-isopropy alcohol has been synthesized by the treatment of 1-2-（4-fluoro- 2-（4-fluorophenoxy）phenyl）-2,3-epoxypropyl]-1H-1,2,4-triazole with sodium methoxide. It belongs to orthorhombic, space group P212121, with a = 9.7229（19）, b = 11.516（2）, c = 16.047（3）A, C18H17F2 N3O3, Mr = 361.35, V = 1796.7（6）A^3, Z = 4, Dc = 1.3359 g/cm^3, F（000） = 752, p = 0.106 mm^-1, the final R = 0.0329 and wR = 0.0803 for 1821 unique reflections. The dihedral angles made by the triazole ring with two benzene rings are 43.56（3） and 54.78（2）°, respectively. The intermolecular hydrogen bond in the crystal lattice plays an important role in stabilizing the structure.
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| 关 键 词： | 氟苯氧基 正交晶体 苯环三唑环 化学结构 |
Synthesis and Crystal Structure of 2-(4-Fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-3-methoxy-isopropy Alcohol |
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| XU Liang-Zhong GUO Wei SUN Shan-Qi ZHAI Zhi-Wei.Synthesis and Crystal Structure of 2-(4-Fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-3-methoxy-isopropy Alcohol[J].Chinese Journal of Structural Chemistry,2009,28(8):963-966. |
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| Authors: | XU Liang-Zhong GUO Wei SUN Shan-Qi ZHAI Zhi-Wei |
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| Institution: | College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, China |
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| Abstract: | The title compound 2-(4-fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-3-methoxy-isopropy alcohol has been synthesized by the treatment of 1-2-(4-fluoro-2-(4-fluorophenoxy)phenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole with sodium methoxide. It be-longs to orthorhombic,space group P212121,with a = 9.7229(19),b = 11.516(2),c = 16.047(3) ,C18H17F2 N3O3,Mr = 361.35,V = 1796.7(6) 3,Z = 4,Dc = 1.3359 g/cm3,F(000) = 752,μ = 0.106 mm–1,the final R = 0.0329 and wR = 0.0803 for 1821 unique reflections. The dihedral angles made by the triazole ring with two benzene rings are 43.56(3) and 54.78(2)o,respectively. The intermolecular hydrogen bond in the crystal lattice plays an important role in stabilizing the structure. |
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| Keywords: | 1 2 4-triazole crystal structure synthesis |
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