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Conformations of GABA analogues. I: Crystal and molecular structure of guanidinoacetic acid

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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) Å, 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.

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Authors and Affiliations

  1. Department of Plant Physiology, Waite Institute, University of Adelaide, 5064, Glen Osmond, South Australia

    G. P. Jones

  2. William Ramsey, Ralph Forster, and Christopher Ingold Laboratories, University College, London, WC1H OAJ, London

    G. P. Jones & P. J. Pauling

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  1. G. P. Jones
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  2. P. J. Pauling
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Jones, G.P., Pauling, P.J. Conformations of GABA analogues. I: Crystal and molecular structure of guanidinoacetic acid. Journal of Crystal and Molecular Structure 9, 273–279 (1979). https://doi.org/10.1007/BF01320842

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  • DOI: https://doi.org/10.1007/BF01320842

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