The Crystal and Molecular Structure of .GAMMA.-Guanidinobutyric Acid Monohydrate.

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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.

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