2-氨基-6-二茂铁基-4-(2,4-二氯苯基)吡啶-3-腈类化合物的微波合成和结构表征

摘要

标题化合物C24H20C12 FeN2 O2是由2,4-二氯苯甲醛、乙酰二茂铁、氰乙酸乙酯、醋酸铵在水相中微波辐射下反应制得.结构通过单晶X射线衍射法测定,其晶体属单斜晶系、空间群P21/n,α=0.749(3) nm,b=1.136(3) nm,c=2.577(3) nm,α=γ=90°,β=94.021(2)°,V=2.188(1)nm3,相对分子质量Mr=495.17,晶胞密度Dc=1.503 g/cm3,Z=4,λ=0.071 073 nm,吸收系数μ(Mo Kα)=0.958 mm-1,F(000) =1 016,最终偏离因子R=0.079 7,wR=0.161 6.%The title compound C24 H20 Cl2 FeN2 O2 was synthesized by the reaction of 2,4-dichlorobenzaldehyde, acetylferrocene, ethyl cyanoacetate, and ammonium acetate in aqueous medium under microwave irradiation. Its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic and space group P2:/n,a = 0. 749(3) nm,b=l. 136(3) nm,r = 2. 577(3) nm,α=γ= 90°,β= 94. 021(2)°,V=2. 188(1) nm3 , Mr = 495. 17, Dc. = 1. 503 g/cm3 , Z=4,λ = 0. 071 073 nm,μ(Wo Kα)=0. 958 mm-1 ,F(000) =1 016,R = 0. 079 7, and wR = 0. 161 6.