摘要
标题化合物C22H29N3O3以简单易得的试剂为原料,在乙醇溶剂中,微波辐射下经两步多组分反应合成得到.其结构通过单晶X射线衍射法确定,晶体属三斜晶系,空间群P-1,相对分子质量Mr=383.48,晶胞参数a=1.147 70(12)nm,b=2.065 7(2)nm,c=1.007 80(12)nm,V=2.184 1(4)nm3,Z=4,晶胞密度Dc=1.166 mg/m3,吸收系数μ=0.078mm-1,单胞中电子的数目F(000)=824.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,最终的偏离因子为R1=0.070 9,wR2=0.140 5.在晶体结构中新形成的噌啉环为近似于共平面结构,而其中的哒嗪环则为船式构象.
The tion of simple crystal X-ray 1. 147 70(12) title compound C22 H29 Na 03 has been multicomponent two-steps synthesized by the reac reagent in ethanol by microwave irradiation. The structure was determined by single diffraction. The crystal is triclinic, space group P-l, with Mr = 383. 48, a = nm, b=2. 065 7(2) nm, c=1. 007 80(12) nm, V=2. 184 1(4) nm3, Z= 4, Dc=1. 166mg/m3 , μ= 0. 078 mm-1 , F(000)=824. The structure was solved by direct methods and refined by full-mat rix least squares method to th final R1 =0. 070 9,wR2 =0. 140 5. X-ray analysis reveals that the newly formed cinnoline ring in the crystal structure is similar to coplanar structure, while the pyr- idazine ring is boat conformation.
出处
《分子科学学报》
CAS
CSCD
北大核心
2014年第6期486-490,共5页
Journal of Molecular Science
基金
徐州市科技发展计划资助项目(XM13B067)
徐州医学院振兴计划资助项目
关键词
噌啉-4-甲酰胺
高效
多组分反应
晶体结构
cinnoline-4-carboxamide
efficient
multicomponent reaction
crystal structure