Abstract
The crystal structure ofN′-phosphonomethyl-l-threonine has been determined from three-dimensional X-ray diffractometer data. The molecule crystallizes in the space groupP212121, witha=5.381(1),b=10.558(2),c=15.542(3)Å andz=4. The structure was solved by direct methods, and refined to anR value of 0.038 for 2477 reflections. The molecule exists as a zwitterion in the crystal, with the amino group portonated and the carboxyl group unionized; the phosphonic acid group is ionized. The molecule is in an extended conformation, with the P-C(1)-N-C(2) and C(1)-N-C(2)-C(4) torsion angles −171.1(2) and 166.7(2)°, respectively. The crystal structure is stabilized by five intermolecular and one intramolecular hydrogen bonds.
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Sawka-Dobrowolska, W., Głowiak, T. & Barycki, J. Studies in molecular structure and conformation of aminophosphonic acids: Crystal and molecular structure ofN-phosphonomethyl-l-threonine. Journal of Crystallographic and Spectroscopic Research 19, 861–871 (1989). https://doi.org/10.1007/BF01185352
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DOI: https://doi.org/10.1007/BF01185352