摘要
标题化合物C23H26O4是由水杨醛与5,5-二甲基-1,3-环己二酮在N,N-二甲基甲酰胺中反应而得.结构通过单晶X-射线行射法确定,其晶体属于单料晶系,空间群P21/c,a=7.056(7),b=20.263(3),c=13.665(2)A,β=93.32(1)°,V=1950.7(4)A3,Mr=366.46,Dc=1.248g/cm3,Z=4,μ(MoKa)=0.84cm-1,F(000)=784。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最后的偏离因子R=0.068,Rw=0.075。晶体结构分析结果表明,分子中存在一个共轭的烯醇式结构。
The title compound (C23H26O4) has been synthesized by reaction of salicylal and 5, 5-dimethyl-1, 3-cyclohexanedione in N, N-dimethyirormamide and its structure was determinedby single crystal X-ray diffraction. The crystal is monoclinic, space group P21/c with a= 7. 056(7), b=20. 263(3), c=13. 665(2) A, P=93. 32(1)°, V=195O. 7(4) A3, Mr=366. 46, Dc= 1. 248 g/cm3, Z=4, μ(MoKa) =0. 84 cm-1, F(000) = 784. The structure was solved by direct methods, and refined by full-matrix least-squares method to a final R = 0. 068 and Rw =0. 075. The crystal structure shows that there is a conjugated enol form in the molecule.