Glyphosate Crystallography

Composition

N-(Phosphonomethyl)glycine, C3H8O5NP

Structural Parameters

a=8.682 b=7.973 c=9.875 Å
alpha = 90, beta = 105.74, gamma = 90°
Z = 4, Space Group: P21/c

Atom
x/a
y/b
z/c
P 0.94899 0.27559 0.07465
O(1) 0.04375 0.71869 0.08303
O(2) 0.90047 0.44165 0.12153
O(3) 0.85233 0.12301 0.08678
O(4) 0.56500 0.67680 0.46322
O(5) 0.36448 0.58338 0.28341
C(1) 0.15631 0.24194 0.17485
C(2) 0.37871 0.03577 0.23287
C(3) 0.51482 0.6076 0.35134
N 0.79313 0.56575 0.33676
H(1) -0.0196 0.1462 0.3861
H(2) 0.8282 0.7669 0.2109
H(3) 0.2218 0.3184 0.1368
H(4) 0.1785 0.4873 0.5723
H(5) 0.8449 0.4915 0.2939
H(6) 0.4051 0.0927 0.3282
H(7) 0.3954 0.9095 0.2412
H(8) 0.6959 0.4014 0.6771

References:

P. Knuuttila and H. Knuuttila. 1979. The crystal and molecular structure of N-(phosphonomethyl)glycine (glyphosate). Acta Chem. Scand. B 33:623-626.

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Original release: 4 Aug 2003; Last modified: 4 Aug 2003