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应用X射线衍射方法测定了三水合磺基水杨酸二钠的晶体结构。晶体属正交晶系,晶胞参数为:a=23.010,b=9.314,c=5.461,Z=4,空间群Pca2_1。由重原子法和直接法解出结构,并经全矩阵最小二乘法修正,最后的R=0.067。从晶体结构的测定得出其分子式应为(Na+(H_2O)_3]·C_6H_3(COO-)(OH)-(SO_3Na)。水杨酸分子基本上呈平面型,分子中的两个Na~+离子都成扭歪的八面体配位。其中的Na~+(2)离子又与三个水分子形成链状[Na~+(H_2O)_3],并由于链间的氢键的相互交联而成为层状结构。
The crystal structure of disodium sulfosalicylate trihydrate was determined by X-ray diffraction. The crystal belongs to orthorhombic system. The unit cell parameters are: a = 23.010, b = 9.314, c = 5.461, Z = 4 and space group Pca2_1. The structure is solved by heavy atom method and direct method, and corrected by full matrix least squares method, the final R = 0.067. The molecular formula of (Na + (H_2O) _3] · C_6H_3 (COO -) (OH) - (SO_3Na) was obtained from the determination of crystal structure.The molecules of salicylic acid are basically planar and the two Na + Ions are twisted octahedral coordination. Na ~ + (2) ions in turn with three water molecules to form a chain [Na ~ (H_2O) _3], and due to the hydrogen bonds between the chains cross-linked And become a layered structure.