| Synthesis and Crystal Structure of （S）-Ethyl-2-（2-methoxy-phenylsulfenamido）-3-（1H-indol-3-yl）propanoate |
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| 引用本文： | 商建丽,宋海滨,李正名,王建国. Synthesis and Crystal Structure of （S）-Ethyl-2-（2-methoxy-phenylsulfenamido）-3-（1H-indol-3-yl）propanoate[J]. 结构化学, 2011, 30(2): 252-256 |
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| 作者姓名： | 商建丽 宋海滨 李正名 王建国 |
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| 作者单位： | Institute and State Key Laboratory of Elemento-organic Chemistry;Nankai University; |
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| 基金项目： | supported by the National Natural Science Foundation of China (NSFC#20602021); National 973 program (2010CB126103) |
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| 摘 要： | With an aim to discover novel AHAS inhibitors,the title compound (S)-ethyl-2(2-methoxy-phenylsulfenamido)-3-(1H-indol-3-yl)propanoate (C 21 H 22 N 2 O 4 S,M r=398.47) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis.The crystal belongs to orthorhombic,space group P2 1 2 1 2 1 with a=8.078(2),b=12.824(4),c=18.788(6),V=1946.2(10) 3,Z=4,F(000)=840,D c=1.360 mg/m 3,μ=0.197 mm-1,the final R=0.0433 and wR=0.1035 for 3075 observed reflections with I > 2σ(Ⅰ).The absolute structure Flack parameter X of this compound is 0.00(8).A total of 14375 reflections were collected,of which 3431 were independent (R int=0.0437).X-ray analysis reveals that the crystal structure involves two intermolecular N-H···O and one N-H···S intermolecular hydrogen bonds with the neighboring molecules.The crystal structure was compared with our previously reported (S)-methyl 2-(4-R-phenylsulfonamido)-3-(1H-indol-3-yl)propanoate (R=H(1) and Cl(2)),which provided some useful information of these compounds.
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| 关 键 词： | 晶体结构 甲氧基 吲哚 乙基 合成 分子间氢键 射线衍射分析 X射线分析 |
Synthesis and Crystal Structure of(S)-Ethyl-2-(2-methoxy-phenylsulfenamido)-3-(1H-indol-3-yl)propanoate |
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| SHANG Jian-Li,SONG Hai-Bin,LI Zheng-Ming,WANG Jian-Guo. Synthesis and Crystal Structure of(S)-Ethyl-2-(2-methoxy-phenylsulfenamido)-3-(1H-indol-3-yl)propanoate[J]. Chinese Journal of Structural Chemistry, 2011, 30(2): 252-256 |
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| Authors: | SHANG Jian-Li SONG Hai-Bin LI Zheng-Ming WANG Jian-Guo |
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| Affiliation: | SHANG Jian-Li SONG Hai-Bin LI Zheng-Ming WANG Jian-Guo ② (Institute and State Key Laboratory of Elemento-organic Chemistry,Nankai University,Tianjin 300071,China) |
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| Abstract: | With an aim to discover novel AHAS inhibitors,the title compound(S)-ethyl-2-(2-methoxy-pbenylsulfenamido)-3-(1H-indol-3-yl)propanoate(C21H22N204S,Mr = 398.47)has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis.The crystal belongs to orthorhombic,space group P212121 with a = 8.078(2),b =12.824(4),c = 18.788(6)(A°),V= 1946.2(10)(A°)3,Z= 4,F(000)= 840,Dc = 1.360 mg/m3,μ = 0.197mm-1,the final R = 0.0433 and wR = 0.1035 for 3075 observed reflections with I ＞ 2σ(I).The absolute structure Flack parameter X of this compound is 0.00(8).A total of 14375 reflections were collected,of which 3431 were independent(Rint = 0.0437).X-ray analysis reveals that the crystal structure involves two intermolecular N-H…O and one N-H…S intermolecular hydrogen bonds with the neighboring molecules.The crystal structure was compared with our previously reported(S)-methyl 2-(4-R-phenylsulfonamido)-3-(1H-indol-3-yl)propanoate(R = H(1)and Cl(2)),which provided some useful information of these compounds. |
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| Keywords: | synthesis crystal structure X-ray diffraction |
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