| Synthesis and Crystal Structure of （Z）-5-fluoro-3- （phenyl（（5-（pyridin-3-ylmethyl）thiophen-2- yl）amino）methylene） Indolin-2-one |
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| 作者姓名： | DING Lei JIN Qiu HUANG Wei TANG Feng WEI Ping |
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| 作者单位： | [1]College of Biotechnology and Pharmaceutical Engineering, Nanjing University of Technology, Nanjing 211800, China [2]Jiangsu Key Laboratory of Molecular Targeted Antitumor Drug Research, Jiangsu Simcere Pharmaceutical Co., Ltd., Nanjing 210042, China |
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| 基金项目： | Sponsored by the Natural Science Foundation of Jiangsu Province （No. BK2011088） |
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| 摘 要： | The crystal structure of the title compound （Z）-5-fluoro-3-（phenyl（（5-（pyridin-3- ylmethyl）thiophen-2-yl）amino）methylene） indolin-2-one （C25H18FN3OS, Mr = 427.50） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group P212121 with a = 5.931（1）, b = 12.413（1）, c = 28.102（2） A, V= 2090.4（3） A3, Z = 4, Dc = 1.358 g/cm3, F（000） = 888, μ= 0.186 mm-1, MoKa radiation （2 = 0.71073）, R = 0.041 and wR = 0.105 for 4567 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that the indole and thiophene rings are not coplanar with a dihedral angle of 46.26（5）°. Intramolecular and intermolecular N-H＇..O hydrogen bonds together with C-H...π interations can be observed in the lattice.
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| 关 键 词： | 晶体结构 甲基苯基 吲哚啉 噻吩 吡啶 氨基 单晶X-射线衍射 X-射线衍射分析 |
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