The crystal structure and the second harmonic generation efficiency of the sulfosalicylate

By means of the X-ray single crystal diffraction method, the crystal structures of calcium 5-sulfosalicylate trihydrate (C14H10O12S2Ca.3H(2)O, 1) and potassium 5-sulfosalicylate dihydrate (C7H4O6SK2.2H(2)O, 2) were determined. Compound 1 belongs to monoclinic system, space group is Pn, unit cell parameter a=5.604(1)Angstrom,=18.560(4)Angstrom, c=10.006(2)Angstrom beta=102.19(3) degrees V=1017.2(3)Angstrom(3), 2=2, d(c)=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)Angstrom, b=12.186(2)Angstrom, c=7.739(2)Angstrom, V=2437.0(9)Angstrom(3); Z=8, d(c)=1.801g.cm(-3), in the end R=0.0308. The powder second harmonic generation(SHG) efficiency of compound 1 is as 2.68 times as that of KH2PO4. The ultraviolet absorption edge of its centimeter sizes single crystal is about 375nm.