Synthesis and Crystal Structure of Methyl 12-Bromo-13,14-furoxan-deisopropyldehydroabietate  

作　　者：PAN Ying-Ming ZHANG Ye WANG Heng-Shan CHEN Zhen-Feng WU Qiang GE Chun-Yu ZHANG Yong 

机构地区：[1]College of Chemistry and Chemical Engineering, Guangxi Normal University, Guilin 541004, China [2]College of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215006, China

出　　处：《Chinese Journal of Structural Chemistry》2006年第10期1209-1212,共4页结构化学（英文）

基　　金：This work was financially supported by the National Natural Science Foundation of China (No. 20362002), the 100 Young and Middle-aged Disciplinary Leaders in Guangxi Higher Education Institutions and the Science Foundation for Youth of Guangxi Province (No. 0575046)

摘　　要：Methyl 12-bromo-13,14-furoxan-deisopropyldehydroabietate, C18H22BrN2O4, has been synthesized and characterized by IR,^1H NMR, ^13C NMR and single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group P212121 with a = 6.652（2）, b = 12.832（4）, c = 20.483（6）°A, V = 1748.5（9） °A^3, Z = 4, Mr = 410.29, D, = 1.559 g/cm^3, λ= 0.71070°A, μ（MoKα） = 2.377 mm^-1, F（000） = 844, the final R = 0.0243 and wR = 0.0533 for 3780 observed reflections with I〉 2σ（I）. The C-H and bromine atom are involved in intermolecular hydrogen bonds which link the molecules into a one-dimensional chain.Methyl 12-bromo-13,14-furoxan-deisopropyldehydroabietate, C18H22BrN2O4, has been synthesized and characterized by IR,^1H NMR, ^13C NMR and single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group P212121 with a = 6.652（2）, b = 12.832（4）, c = 20.483（6）°A, V = 1748.5（9） °A^3, Z = 4, Mr = 410.29, D, = 1.559 g/cm^3, λ= 0.71070°A, μ（MoKα） = 2.377 mm^-1, F（000） = 844, the final R = 0.0243 and wR = 0.0533 for 3780 observed reflections with I〉 2σ（I）. The C-H and bromine atom are involved in intermolecular hydrogen bonds which link the molecules into a one-dimensional chain.

关 键 词：methyl 12-bromo-13 14-furoxan-deisopropyldehydroabietate FUROXAN synthesis crystal structure 

分 类 号：O626.11[理学—有机化学]