| Syntheses and Crystal Structures of （S）-Methyl 2-（4-R-phenylsulfonamido）-3-（1H-indol-3-yl）propanoate （R = H （1） and Cl （2）） |
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| 引用本文： | LI Wen-Ming WANG Jian-Guo ② GUO Wan-Cheng LI Zheng-Ming SONG Hai-Bin.Syntheses and Crystal Structures of （S）-Methyl 2-（4-R-phenylsulfonamido）-3-（1H-indol-3-yl）propanoate （R = H （1） and Cl （2））[J].结构化学,2008,27(6):691-696. |
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| 作者姓名： | LI Wen-Ming WANG Jian-Guo ② GUO Wan-Cheng LI Zheng-Ming SONG Hai-Bin |
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| 作者单位： | Elemento-organic Chemistry Institute State Key Laboratory of Elemento-organic Chemistry，National Pesticide Engineering Research Center，Nankai University，Elemento-organic Chemistry Institute，State Key Laboratory of Elemento-organic Chemistry，National Pesticide Engineering Research Center，Nankai University，Elemento-organic Chemistry Institute，State Key Laboratory of Elemento-organic Chemistry，National Pesticide Engineering Research Center，Nankai University，Elemento-organic Chemistry Institute，State Key Laboratory of Elemento-organic Chemistry，National Pesticide Engineering Research Center，Nankai University，Elemento-organic Chemistry Institute，State Key Laboratory of Elemento-organic Chemistry，National Pesticide Engineering Research Center，Nankai University，Tianjin 300071，China，Tianjin 300071，China，Tianjin 300071，China，Tianjin 300071，China，Tianjin 300071，China |
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| 摘 要： | The title compounds （S）-methyl-2-（4-R-phenylsulfonamido）-3-（1H-indol-3- yl）propanoate （R = H （1）, Cl （2）） have been synthesized and their crystal structures also have been determined by X-ray single-crystal diffraction. Compound 1 （C18H18N2O4S） belongs to orthorhombic, space group P212121 with a = 9.6348（14）, b = 11.1517（17）, c = 16.412（3） A, V = 1763.4（5） A^3, Mr = 358.40, Z = 4, De = 1.350 g/cm^3,/t = 0.209 mm^-1, F（000） = 752, R = 0.0348 and wR = 0.0714. Compound 2 （CI8H17ClN2O4S） crystallizes in orthorhombic, space group P212121 with a = 9.3128（14）, b = 10.9655（16）, c = 17.783（3） A, V = 1815.9（5） A^3, Mr = 392.85, Z = 4, De = 1.437 g/cm^3, p = 0.352 mm^-1, F（000） = 816, R = 0.0389 and wR = 0.0845. The absolute structure Flack parameters X of compounds 1 and 2 are -0.03（8） and -0.06（7）, respectively. X-ray analysis reveals that the crystal structures of these two compounds both involve two intermolecular N-H…O hydrogen bond＇s.
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| 关 键 词： | 有机硫化合物 X射线衍射 合成 晶体结构 |
Syntheses and Crystal Structures of (S)-Methyl 2-(4-R-phenylsulfonamido)-3- (1H-indol-3-yl)propanoate (R = H (1) and Cl(2)) |
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| LI Wen-Ming,WANG Jian-Guo,GUO Wan-Cheng,LI Zheng-Ming,SONG Hai-Bin.Syntheses and Crystal Structures of (S)-Methyl 2-(4-R-phenylsulfonamido)-3- (1H-indol-3-yl)propanoate (R = H (1) and Cl(2))[J].Chinese Journal of Structural Chemistry,2008,27(6):691-696. |
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| Authors: | LI Wen-Ming WANG Jian-Guo GUO Wan-Cheng LI Zheng-Ming SONG Hai-Bin |
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| Institution: | Elemento-organic Chemistry Institute, State Key Laboratory of Elemento-organic Chemistry, National Pesticide Engineering Research Center, Nankai University, Tianjin 300071, China |
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| Abstract: | The title compounds (S)-methyl-2-(4-R-phenylsulfonamido)-3-(lH-indol-3-yl)propanoate (R = H (1), Cl (2)) have been synthesized and their crystal structures also have been determined by X-ray single-crystal diffraction. Compound 1 (C18H18N2O4S) belongs to orthor-hombic, space group P212121 with a = 9.6348(14), b = 11.1517(17), c = 16.412(3) (A), V = 1763.4(5) A3, Mr = 358.40, Z = 4, Dc = 1.350 g/cm3, μ = 0.209 mm-1, F(000) = 752, R = 0.0348 and wR = 0.0714. Compound 2 (C18H17ClN2O4S) crystallizes in orthorhombic, space group P212121 with a = 9.3128(14), b = 10.9655(16), c = 17.783(3) A, V = 1815.9(5) A3, Mr = 392.85, Z= 4, Dc = 1.437 g/cm3, μ = 0.352 mm-1, F(000) = 816, R = 0.0389 and wR = 0.0845. The absolute structure Flack parameters X of compounds 1 and 2 are -0.03(8) and -0.06(7), respectively. X-ray analysis reveals that the crystal structures of these two compounds both involve two intermolecular N-H…O hydrogen bonds. |
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| Keywords: | X-ray diffraction crystal structure syntheses |
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