| Crystal Structure of Ethoxyethyl 3-(2-Chloro-5-pyridyl methylamino)-2-cyano-4-methylpent-2-enoate |
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| 作者姓名： | 曹焕岩 李在国 孙会凯 汪清民 黄润秋 |
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| 作者单位： | Research Institute and State Key Laboratory of Elemento-Organic Chemistry，Tianjin，Nankai University 300071，China |
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| 基金项目： | the National Natural Science Foundation of China(29832050) |
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| 摘 要： | 1 INTRODUCTION The nature and topography of the herbicide binding site in the reaction center of photosystem Ⅱ (PSⅡ) have been the subject of intense interest for many years. Among several commercially important herbicides with different structures such as atrazine and polypeptide of the PSII reaction center1], the cyanoacrylates with general structure 1 have proved hightly potent and useful as probes2, 3] of the receptor because their activities as inhibitors of photosynthetic ele…
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Crystal Structure of Ethoxyethyl 3-(2-Chloro-5-pyridyl methylamino)-2-cyano-4-methylpent-2-enoate |
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| Abstract: | The crystal of the title compound C17H22ClN3O3(Mr = 351.83) was prepared and its structure was determined by X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n with the following crystallographic parameters: a = 14.7641(1), b = 9.0050(7), c = 15.4874(1) ? =116.9590(1)? V = 1835.3(3) ?, Z = 4, Dx = 1.273 g/cm3, (MoK? = 0.227mm-1, F(000) = 744, the final R = 0.0516 and wR = 0.1594 for 2168 observed reflections. The X-ray data confirmed the z-sterochemistry of active cyanoacrylates and the presence of a planar core stablized by an intramolecular hydrogen bond between the ester carbonyl oxygen and the pyridyl methylamino hydrogen atom. |
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| Keywords: | synthesis crystal structure herbicides PSII inhibitor cyanoacrylate |
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