The Crystal and Molecular Structure of γ-Guanidinobutyric Acid Monohydrate

Abstract

The crystal structure of γ-guanidinobutyric acid (GGBA) monohydrate, C₅H<11>O₂N₃·H₂O, was determined by X-ray diffraction. The cryctals are monoclinic, space group P2₁/a, with cell dimensions, a=7.72(2), b=10.188(8), c=10.686(3)Å, β=96.62(5)° and Z=4. The structure was refined to R=0.057. The molecular conformation is characterized by an extended trans planar zig-zag conformation. The GGBA molecule is a zwitter-ion structure, H₂N⁺=C(NH₂)NH(CH₂)₃COO^-, and the molecules are linked by N-H…O and O-H…O intermolecular hydrogen bonds.