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.
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.
基金
supported by the National Natural Science Foundation of China (NSFC#20602021)
National 973 program (2010CB126103)
