Abstract
The crystal and molecular structure of guanidinoacetic acid has been determined by single-crystal X-ray diffraction techniques. The crystals are monoclinic, space groupP21/c, witha = 4.942(3),b = 6.010(3),c = 21.911(14) A, β = 128.60(4) °, andZ = 4. The structure was solved by direct methods, and refined by least-squares procedures toR = 0.070 for 552 observed diffraction maxima. The molecules are zwitterions linked by an infinite three-dimensional network of hydrogen bonds via the primary amine nitrogen and carboxylate oxygen atoms. The secondary amine nitrogen atom is not involved in hydrogen bonding.
Published Version
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