Conformations of GABA analogues. I: Crystal and molecular structure of guanidinoacetic acid |
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| Authors: | G. P. Jones P. J. Pauling |
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| Affiliation: | (1) Department of Plant Physiology, Waite Institute, University of Adelaide, 5064 Glen Osmond, South Australia;(2) William Ramsey, Ralph Forster, and Christopher Ingold Laboratories, University College, London, WC1H OAJ London |
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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,  = 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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