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用SYNTEX P3/R3四圆衍射仪收集4-(2-吡啶偶氮)间苯二酚盐酸盐晶体的三维衍射数据。晶体属P2_1/c空间群,a=11.339,b=6.835,c=18.170,β=102.76°,Z=4。利用Patterson法及直接法测定了晶体结构。经位置坐标参数,各向异性温度因子及比例因子块矩阵最小二乘修正后,最后的R值为0.055。晶体结构分析结果表明:4-(2-吡啶偶氮)间苯二酚的分子内所有非氢原子共面并形成大的共轭体系。氯离子及二个结晶水与分子中的N,O形成氢键,起到桥联分子的作用。
Three-dimensional diffraction data of 4- (2-pyridylazo) resorcinol hydrochloride crystals were collected using a SYNTEX P3 / R3 four-circle diffractometer. Crystals belong to the P2_1 / c space group, a = 11.339, b = 6.835, c = 18.170, β = 102.76 °, Z = 4. The crystal structure was determined by the method of Patterson and the direct method. After the position coordinate parameters, the anisotropic temperature factor and the least squares correction of the scale factor matrix, the final R value is 0.055. The crystal structure analysis results show that all the non-hydrogen atoms in 4- (2-pyridylazo) resorcinol molecules are coplanar and form a large conjugated system. Chloride ion and two crystal water molecules and N, O hydrogen bond, play the role of bridging molecules.