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Geometry for HOCH2COOH (Hydroxyacetic acid) 1A CS

1910171554
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) INChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N

CCD/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5920 -0.8715 0.0000   -0.9728 -0.4047 0.0000
C2 0.0000 0.5267 0.0000   0.5159 -0.1059 0.0000
O3 -0.9530 1.4844 0.0000   1.2625 -1.2320 0.0000
O4 1.1899 0.7552 0.0000   0.9789 1.0138 0.0000
O5 0.4200 -1.8568 0.0000   -1.7345 0.7847 0.0000
H6 -1.2356 -0.9725 0.8924   -1.2010 -1.0149 0.8924
H7 -1.2356 -0.9725 -0.8924   -1.2010 -1.0149 -0.8924
H8 1.2670 -1.3885 0.0000   -1.1054 1.5202 0.0000
H9 -0.4995 2.3406 0.0000   2.1924 -0.9598 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5184 2.3834 2.4127 1.4124 1.1049 1.1049 1.9295 3.2135
C2 1.5184 1.3511 1.2117 2.4202 2.1379 2.1379 2.2963 1.8815
O3 2.3834 1.3511 2.2636 3.6123 2.6291 2.6291 3.6306 0.9690
O4 2.4127 1.2117 2.2636 2.7231 3.1087 3.1087 2.1450 2.3168
O5 1.4124 2.4202 3.6123 2.7231 2.0783 2.0783 0.9678 4.2970
H6 1.1049 2.1379 2.6291 3.1087 2.0783 1.7848 2.6893 3.5093
H7 1.1049 2.1379 2.6291 3.1087 2.0783 1.7848 2.6893 3.5093
H8 1.9295 2.2963 3.6306 2.1450 0.9678 2.6893 2.6893 4.1263
H9 3.2135 1.8815 0.9690 2.3168 4.2970 3.5093 3.5093 4.1263
Maximum atom distance is 4.2970Å between atoms O5 and H9.
picture of Hydroxyacetic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 112.194 C1 C2 O4 123.816
C2 C1 O5 111.286 O3 C2 O4 123.991
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 106.826 C2 C1 H6 108.132
C2 C1 H7 108.132 C2 O3 H9 107.231
O5 C1 H6 110.711 O5 C1 H7 110.711
H6 C1 H7 107.740

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.