| Synthesis and Crystal Structure of 2-[（2-Chloropyridin-4-yl）oxy]-3,3-diphenyl-3-methoxypropionic Acid |
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| 作者姓名： | YU Xiu-Ling ZHAO Gui-Long TAN Chu-Bing SHAO Hua XU Wei-Ren |
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| 作者单位： | YU Xiu-Ling,XU Wei-Ren(Tianjin Key Laboratory of Molecular Design and Drug Discovery, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China;TIanjin University of TCM, Tianjin 300193, China);ZHAO Gui-Long,TAN Chu-Bing,SHAO Hua(Tianjin Key Laboratory of Molecular Design and Drug Discovery, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China) |
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| 基金项目： | Supported by the Key Project of National Innovative Drug（2011ZX09401-009） |
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| 摘 要： | The title compound was synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system(C21H18ClNO4,Mr = 383.81),space group Pca21 with a = 13.913(3),b = 10.273(2),c = 26.488(5),V = 3786.1(13) 3,Z = 8,Dc = 1.347 g/cm3,F(000) = 1600,μ = 0.228 mm-1,the final R = 0.0550 and wR = 0.1278 for 5065 observed reflections(I > 2σ(I)).The title compound in a racemic form was found to exist as a mixture of two enantiomers in an equal ratio in the unit cell.The intermolecular hydrogen bonds link the molecules in a head-to-end manner to generate an infinite chain.
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| 关 键 词： | 晶体结构 合成 二苯基 标题化合物 射线衍射 正交晶系 氢键链 分子间 |
Synthesis and Crystal Structure of 2-[(2-Chloropyridin-4-yl)oxy]-3,3- diphenyl-3-methoxypropionic Acid |
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| YU Xiu-Ling,ZHAO Gui-Long,TAN Chu-Bing,SHAO Hua,XU Wei-Ren.Synthesis and Crystal Structure of 2-[(2-Chloropyridin-4-yl)oxy]-3,3- diphenyl-3-methoxypropionic Acid[J].Chinese Journal of Structural Chemistry,2011,30(4):545-549. |
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| Authors: | YU Xiu-Ling ZHAO Gui-Long TAN Chu-Bing SHAO Hua XU Wei-Ren |
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| Abstract: | The title compound was synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal is of orthorhombic system (C<,21>H<,18>CINO<,4>, Mr = 383.81), space group Pca<,21> with a = 13.913(3), b = 10.273(2), c = 26.488(5) (A), V= 3786.1(13) (A)3, Z=8, Dc = 1.347 g/cm<'3>, F(000) = 1600, μ=0.228 mm<'-1>, the final R = 0.0550 and wR = 0.1278 for 5065 observed reflections (1>20(I)).The title compound in a racemic form was found to exist as a mixture of two enantiomers in an equal ratio in the unit cell.The intermolecular hydrogen bonds link the molecules in a head-to-end manner to generate an infinite chain. |
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| Keywords: | synthesis crystal structure pyridine propionic acid ETR antagonist |
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