论文部分内容阅读
Cu(Ⅱ)离子促进双酰胺配体.N,N’-双异烟酰咪唑啉-2-硫酮的水解,进一步与水解产物异烟酸根自组装形成超分子配合物[Cu(C5H4NCOO)2(H20)2]·H2O,通过X射线衍射对其晶体结构进行了测定.该晶体属于三斜晶系,空间群为P-1,所得晶胞参数为:a=0.634 49(13)nm,b=0.689 46(14)nm,c=0.918 33(18)nm,a=99.33(3)°,β=105.23(3)°,γ=108.17(3)°,V=0.354 99(12)nm3,Z=1,Dc=1.777 mg/m3,F(000)=195,μ=1.585 mm-1.最终偏离因子R=0.041 3,Rw=0.107 7.在该超分子化合物的基本结构单元中,中心Cu(Ⅱ)原子处于略微变形的平面四边形配位环境;各个结构单元之间通过氢键O-H…O相互连接,形成了具有层状结构的三维超分子化合物.
The Cu (Ⅱ) ion promoted the hydrolysis of the bisamide ligand, N, N’-bisisonicotinoidimidazoline-2-thione and further formed the supramolecular complex [Cu (C5H4NCOO) 2 (H20) 2] · H2O, and its crystal structure was determined by X-ray diffraction. The crystal belongs to the triclinic system with the space group of P-1 and the unit cell parameters are as follows: a = 0.634 49 a = 99.33 (3) °, β = 105.23 (3) °, γ = 108.17 (3) °, V = 0.35499 (12) nm3 , Z = 1, Dc = 1.777 mg / m 3, F (000) = 195 and μ = 1.585 mm -1. The final deviation factor R = 0.041 3 and Rw = 0.107 7. In the basic structural unit of the supramolecular compound, The Cu (Ⅱ) atom in the center is in a slightly distorted planar tetragonal coordination environment; each structural unit is connected to each other through hydrogen bonds OH ... O to form a three-dimensional supramolecular compound with a layered structure.