摘要:
标题化合物C23H22BrNO是由1-(4-溴苯基)-3-苯基-2-丙烯-1-酮与5,5-二甲基-1, 3-环己二酮在N, N-二甲基甲酰胺(DMF)中在NH4OAc催化下反应而得.结构通过单晶X-射线衍射分析确定,其晶体属于单斜晶系,空间群C2/C, a = 19.678(4),b = 13.571(2),c = 17.311(3) (A。),( = 118.74(1)°,Mr = 408.33, V = 4055(1) (A。)3,Dc = 1.338 g/cm3, Z = 8, μ (MoKα) = 2.038 mm-1, F(000) = 1680, R = 0.0539,wR = 0.1369.X-衍射分析表明,六元环C(10)-C(13)-C(16)-C(17)采用半椅式构象:原子C(10),C(11),C(12),C(16)和C(17)在同一个平面内,而原子C(13)远离平面为0.3282 (A。),该平面与2个苯环的夹角分别为41.09, 81.97°,2个苯环的夹角为75.87°.另外在晶体结构中,存在1个分子间氢键.