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用 Philips PW-1100型单晶衍射仪收集了2-(2′-噻唑偶氮)-5-二乙胺基酚晶体的三维衍射数据.应用最小函数法和直接法测定了晶体结构.在衍射仪上测得晶胞常数 a=20. 018(±0. 005),b=8. 894(±0. 03) (?),c=7. 658(±0. 002) ,z=4. 空间群为P2_12_12_1. 原子的坐标参数、温度因子参数及非氢原子的各向异性温度因子参数一起进行了全矩阵最小二乘修正,最后 R 因子为0. 072,加权以后 R_W 为0. 051. 晶体结构分析结果表明:二乙胺基有效地参与了共轭体系,使二乙胺基的强助色性能得到了很好的解释.
The three-dimensional diffraction data of 2- (2’-thiazolylazo) -5-diethylaminophenol crystals were collected using a Philips PW-1100 single crystal diffractometer. The crystal structure was determined by the least-function method and the direct method. The measured unit cell constants a = 20. 018 (± 0. 005), b = 8. 894 (± 0. 03) (?), C = 7. 658 (± 0.002), z = 4. Space group P2_12_12_1. Atomic coordinate parameters, temperature factor parameters and anisotropic temperature factor parameters of non-hydrogen atoms were least squares full matrix correction, the final R factor of 0. 072, weighted R_W after 0. 051. The crystal structure analysis results show that diethylamine is effectively involved in the conjugate system and the strong color-rendering properties of diethylamine are well explained.