Synthesis and Crystal Structure of Glycin-3,5-Dihydroxybenzoic Acid

摘要

The title compound glycin·3,5-dihydroxybenzoic acid (GDB) has been synthesized and characterized by single-crystal X-ray analysis. It crystallizes in orthorhombic, space group Pca21 with a = 25.513(10), b = 4.668(2), c = 9.150(4) ?, Z = 4, V = 1089.8(8) ?3, C9H13NO7, Mr = 247.20, Dc = 1.507 g/m3, ì(MoKá) = 0.132 mm?1, F(000) = 520, R1 = 0.0322 and wR2 = 0.0611 for 885 observed reflections (I > 2σ(I)). The title compound is a 1:1 molecular complex of glycin and 3,5-dihydroxybenzoic acid, which is linked by O–H???O and N–H???O hydrogen bonds to form a three-dimensional framework. Test of SHG (second harmonic generation) indicates that NLO generation of the crystal is higher than that of KDP.