2-OH偶氮苯中的偶氮-醌腙互变异构的晶体化学研究

Study of crystal chemistry on azo-hydrazone tautomerism of 2-OH azobenzene

从剑桥晶体结构数据库(CSD)中系统地提取了17个邻羟基偶氮苯的晶体结构数据,用自编的FOR TRAN程序对它们的几何参数进行了计算.结果表明:邻羟基偶氮苯晶体中普遍存在着偶氮-醌腙互变异构平衡,这些化合物中均存在很强的六元环分子内氢键且为近平面构型,对应的相关键长呈有规律的变化.

17 molecular structures based on 2-OH azobenzene crystal structure data which retrieved from CSD have calculated and analyzed to their geometry parameters using FORTRAN program written by ourselves. The results indicate that azo-hydrazone tautomerism equilibrium is ubiquity in 2-OH azobenzenes. There are strong six-number ring intramolecular hydrogen bonds in these compounds, and the related bond lengths change regularly.