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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

CID/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6147 -0.8644 0.0000   -0.9667 -0.4365 0.0000
C2 0.0000 0.5204 0.0000   0.5106 -0.1003 0.0000
O3 -0.9515 1.4957 0.0000   1.2841 -1.2220 0.0000
O4 1.2010 0.7342 0.0000   0.9520 1.0369 0.0000
O5 0.4295 -1.8589 0.0000   -1.7412 0.7799 0.0000
H6 -1.2486 -0.9577 0.8836   -1.1805 -1.0405 0.8836
H7 -1.2486 -0.9577 -0.8836   -1.1805 -1.0405 -0.8836
H8 1.2867 -1.3749 0.0000   -1.1010 1.5276 0.0000
H9 -0.5338 2.3862 0.0000   2.2385 -0.9838 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5151 2.3840 2.4192 1.4420 1.0914 1.0914 1.9687 3.2516
C2 1.5151 1.3625 1.2199 2.4177 2.1271 2.1271 2.2907 1.9407
O3 2.3840 1.3625 2.2832 3.6277 2.6245 2.6245 3.6400 0.9836
O4 2.4192 1.2199 2.2832 2.7055 3.1055 3.1055 2.1109 2.3955
O5 1.4420 2.4177 3.6277 2.7055 2.0997 2.0997 0.9844 4.3530
H6 1.0914 2.1271 2.6245 3.1055 2.0997 1.7672 2.7170 3.5318
H7 1.0914 2.1271 2.6245 3.1055 2.0997 1.7672 2.7170 3.5318
H8 1.9687 2.2907 3.6400 2.1109 0.9844 2.7170 2.7170 4.1785
H9 3.2516 1.9407 0.9836 2.3955 4.3530 3.5318 3.5318 4.1785
Maximum atom distance is 4.3530Å 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 111.772 C1 C2 O4 124.033
C2 C1 O5 109.668 O3 C2 O4 124.196
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 106.944 C2 C1 H6 108.287
C2 C1 H7 108.287 C2 O3 H9 110.577
O5 C1 H6 111.198 O5 C1 H7 111.198
H6 C1 H7 108.104

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