摘要
以苯并咪唑为原料,合成了两性羧酸N,N′-二羧甲基苯并咪唑内鎓盐(1)。在Al(OH)3存在条件下通过水热法获得化合物(1)的新型单晶。通过X-射线单晶衍射法确定了其结构,荧光光谱法研究了其荧光性质,并用电位滴定法测得25℃时其解离平衡常数Ka为2.26×10-4。标题化合物属正交晶系,I41/a空间群,Mr=522.47,a=18.3086(9),b=18.3086(9),c=14.1915(14),z=8,Dc=1.422mg·m-3,F(000)=2192,最终偏离因子R=0.0578,wR2=0.1799。
The title compound 1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate (1) were synthesized from benzimidazole and chloroacetic acid. Single crystals of (1) was obtained in existence of Al(OH)3by hydrothermal method. Its structure was determines by X-ray diffraction method. Its spectral properties and the equilibrium dissociation constant (Ka) were studied by fluorescence spectra and potentiometric titration, respectively. Compound (1) belongs to orthorhombic crystal system, I41/a space group,Mr =522.47,a = 18. 308 6(9) ,b = 18. 308 6(9) ,c =14. 191 5(14), z =8, Dc =1.422 mg·m^-3, F(000) =2 192, the final deviation factor R =0.057 8, ωR2 =0. 179 9.
出处
《科学技术与工程》
2010年第8期1944-1946,1954,共4页
Science Technology and Engineering
关键词
N
N′-二羧甲基苯并咪唑内鎓盐
合成
晶体结构
解离平衡常数
1 - (carboxymethyl) -1,3-benzimidazol-3-ium-3-acetate synthesis crystal structure dissociation equilibrium constant