摘要
以4-硝基苯二胺为原料通过取代反应、加成反应和水解反应三步单元反应制备2-氨基-6-硝基-1H-苯并咪唑,经过制备单晶并用X-射线衍射表征其为2-氨基-6-硝基-1H-苯并咪唑盐酸盐晶体结构,化合物属单斜晶系,空间群为C2/C,分子式C_7H_7N_4O_2^+·Cl^-,Mr=214.62,晶胞参数a=13.969(3)?、b=7.806 4(19)?、c=16.490(4)?、b=91.303(3)o、V=1 797.7(7)?~3,晶胞密度(计算值)为1.586 Mg·m^3、Z=8、R=0.035、wR=0.096,化合物通过氢键形成空间三维结构。
The compound 2-amino-6-nitro-1H-benzoimidazol-3-ium chloride was prepared with 4-nitro-phenylenediamine、BrCN and NH_4OH by substitution reaction、additive reaction、hydrolysis reaction. Its structure had been determined by X-ray diffraction method. The crystal crystallize in monmclinic system, space group C2/C with C_7H_7N_4O_2~＋·Cl^-, Mr = 214.62, cell parameters： a = 13.969（3）？, b = 7.806 4（19）？, c =16.490（4）？,b=91.303（3）o,V=1 797.7（7） ？~3,Dc=1.586 Mg·m^3,Z=8,R=0.035,wR=0.096。The molecules were formed to be a 3-D network through hydrogen bong.
出处
《广州化学》
CAS
2016年第3期49-52,共4页
Guangzhou Chemistry
基金
广东省自然科学基金面上项目资助(9151052005000006)
