【摘要】 用X射线单晶衍射法测定了三水合二（5－磺基水杨酸）钙（C（14）H1（10）O（12）S2Ca·3H2O，1）和二水合（5－磺基水杨酸）二钾（C7H4O6SK2·2H2O，2）的晶体结构·化合物1属单斜晶系，空间群为Pn。，晶胞参数a＝5．604（1），B＝18．560（4），c＝10．006（2），β＝102．19（3）°，Z＝2，最终R＝0．0244．化合物2属正交晶系，空间群Pbca，晶胞参数a＝25．841（5），b＝12．186（2），c＝7．739（2），Z＝8，最终R＝0．0308．化合物1粉末倍频效应为2．86倍KH2PO4，其厘米级单晶体的紫外端吸收边经在375nm附近更多还原

【Abstract】 By means of the X-ray single crystal diffraction method, the crystal structures of cai-cium 5-suifosalicylate trihydrate (C14H10O12S2Ca.3H2O, 1) and potassium 5-sulfosalicylate dihy-drate (C7H4O6SK2·2H2O, 2) were dctcrndned- Compound 1 belongs to monochnic system, spacegroup is Pn, unit cell parametcr a=5. 604(1)A, b=18.560(4)A, c=10.006(2)A, D=102.19(3) ,V=1017.2(3)As, Z=2, dc=1.725g·cm-3, in the end R=0.0244. Compound 2 belongs to orthorhombic system, space group is Pbca, unit cell parameter a=25.841(5)A, b=12.186(2)A, c=7.739(2)A.V=2437.0(9)A2; Z=8, dc=1.801g.cm-3, in the end R=0.0308. The powder second harmonic generation(SHG) efficiency of compound 1 is as 2.86 times as that of KH2PO4. The ultravioletabsorption edge of its centimeter sizes single crystal is about 375nm.更多还原