Synthesis, Dimer Crystal Structure and Herbicidal Activity of 2-(4-Ethoxybenzoyl)cyclopentane-1,3-dione  

作　　者：徐海珍 谢丽芬 张海利 李蕾 马源 朱有全 

机构地区：[1]College of Chemistry, Tianjin Normal University [2]State Key Laboratory of Elemento-organic Chemistry, Nankai University [3]Collaborative Innovation Center of Chemical Science and Engineering

出　　处：《Chinese Journal of Structural Chemistry》2014年第10期1451-1454,共4页结构化学（英文）

基　　金：financial support by the National Basic Research Program of China(973 Program,No.2010CB126103);the National Natural Science Foundation of China(No.21372134,No.21072108);NFFTBS(No.J1103306);the National Key Technologies R&D Program(2011BAE06B05-3);Collaborative Innovation Center of Chemical Science and Engineering(Tianjin)

摘　　要：The title compound 2-（4-ethoxybenzoyl）cyclopentane-1,3-dione（C14H14O4） was synthesized, and its crystal structure was studied. It crystallized in the triclinic system, space group P1 with a = 8.980（2）, b = 9.080（2）, c = 15.482（3） A, α = 93.49（3）, β = 93.84（3）, γ = 107.27（3）°, Dc = 1.365 g/cm^3, Z = 4, λ = 0.71073A, μ（MoKα） = 2.769 mm^-1, Mr = 246.25, V = 1198.5（4）A3, F（000） = 520, the final R = 0.0559 and wR = 0.1278 for 2301 observed reflections with I 〉 2σ（I）. In the crystalline state, the molecular skeleton contains one enol grouping, which is intramolecularly hydrogen bonded to a neighboring keto O atom. Preliminary bioassay result showed that this compound provided 93.8% and 87.2% control of B. campestris and A. retroflexus at post-emergence at 375 g/hm^2.The title compound 2-（4-ethoxybenzoyl）cyclopentane-1,3-dione（C14H14O4） was synthesized, and its crystal structure was studied. It crystallized in the triclinic system, space group P1 with a = 8.980（2）, b = 9.080（2）, c = 15.482（3） A, α = 93.49（3）, β = 93.84（3）, γ = 107.27（3）°, Dc = 1.365 g/cm^3, Z = 4, λ = 0.71073A, μ（MoKα） = 2.769 mm^-1, Mr = 246.25, V = 1198.5（4）A3, F（000） = 520, the final R = 0.0559 and wR = 0.1278 for 2301 observed reflections with I 〉 2σ（I）. In the crystalline state, the molecular skeleton contains one enol grouping, which is intramolecularly hydrogen bonded to a neighboring keto O atom. Preliminary bioassay result showed that this compound provided 93.8% and 87.2% control of B. campestris and A. retroflexus at post-emergence at 375 g/hm^2.

关 键 词：cyclopentane-1 3-dione SYNTHESIS crystal structure 

分 类 号：TQ457[化学工程—农药化工] O76[理学—晶体学]