The Crystal and Molecular Structure of N-(Phosphonomethyl)glycine (Glyphosate).

Abstract
N-(Phosphonomethyl)glycine (glyphosate) was isolated from the commercial product Roundup and recrystallized from hot water. The compound was identified by IR and 13C NMR spectra. The crystal and molecular structure was determined from 3-dimensional X-ray diffraction data. The white crystals belong to the monoclinic space group P21/c (No. 14). The cell parameters are a = 8.682(5), b = 7.973(8), c = 9.875(5) .ANG., .beta. = 105.74(4).degree., V = 675.9(8) .ANG.3 and Z = 4. The structure was refined to a final R-value of 3.0%. The molecules are zwitterions -HO3PCH2NH2+CH2COOH. The molecules are connected by a network of H bonds.

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