摘要
标题化合物C18H16N2O3是由香草醛和1-苯基-3-甲基-吡唑啉酮用微波辐射反应得到,结构通过单晶X-射线衍射法确定,其晶体属单斜晶系,空间群P21/c,Mr = 308.33, a = 21.101(4), b = 7.984, c = 20.076 ? = 115.81(1)? V = 3044.8(8) ? Z = 8, Dc = 1.345 g/cm3, = 0.093 cm-1, F(000) = 1296, 最终的偏离因子为R = 0.0403, wR = 0.0780, 分子之间存在氢键,形成了网状结构。
The title compound (C18H16N2O3) was synthesized by the reaction of 4-hydroxyl-3-methoxyl-phenyl aldehyde with 3-methyl-1-phenyl-5-pyrazolon under microwave irradiation and its crystal structure has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P2(1)/c with a=21.101(4), b=7.984(1), c=20.076(3) Angstrom, beta=115.81 (1)degrees, V=3044.8(8) Angstrom(3), Z=8, M-r=308.33, D-c=1.345 g/cm(3), mu(MoKalpha)=0.093 mm(-1) and F(000)=704. The structure was solved by direct methods and refined by full-matrix least-squares techniques to the final R=0.0403 and wR=0.0780. X-ray analysis reveals that there exist intermolecular hydrogen bonging and network structure in the crystal.
基金
江苏省自然科学基金(BK2001142)
江苏省教育厅自然科学基金(01KJB150008)资助项目
