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Geometry for CH3CH2COOH (Propanoic Acid) 1A' CS

1910171554
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) INChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N

CCD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5753 0.0000   0.5652 -0.1069 0.0000
C2 -0.6074 -0.8136 0.0000   -0.9123 -0.4455 0.0000
C3 0.4529 -1.9154 0.0000   -1.7978 0.8011 0.0000
O4 -0.9575 1.5330 0.0000   1.3283 -1.2258 0.0000
O5 1.1789 0.8290 0.0000   1.0338 1.0042 0.0000
H6 -1.2711 -0.8844 0.8815   -1.1053 -1.0845 0.8815
H7 -1.2711 -0.8844 -0.8815   -1.1053 -1.0845 -0.8815
H8 -0.0238 -2.9104 0.0000   -2.8641 0.5177 0.0000
H9 1.1000 -1.8357 -0.8896   -1.5992 1.4221 -0.8896
H10 1.1000 -1.8357 0.8896   -1.5992 1.4221 0.8896
H11 -0.4783 2.3765 0.0000   2.2462 -0.9118 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5158 2.5315 1.3543 1.2059 2.1268 2.1268 3.4858 2.7954 2.7954 1.8637
C2 1.5158 1.5291 2.3725 2.4267 1.1057 1.1057 2.1765 2.1797 2.1797 3.1927
C3 2.5315 1.5291 3.7257 2.8388 2.1936 2.1936 1.1033 1.1030 1.1030 4.3918
O4 1.3543 2.3725 3.7257 2.2494 2.5922 2.5922 4.5404 4.0463 4.0463 0.9701
O5 1.2059 2.4267 2.8388 2.2494 3.1170 3.1170 3.9281 2.8104 2.8104 2.2674
H6 2.1268 1.1057 2.1936 2.5922 3.1170 1.7629 2.5372 3.1087 2.5548 3.4698
H7 2.1268 1.1057 2.1936 2.5922 3.1170 1.7629 2.5372 2.5548 3.1087 3.4698
H8 3.4858 2.1765 1.1033 4.5404 3.9281 2.5372 2.5372 1.7915 1.7915 5.3064
H9 2.7954 2.1797 1.1030 4.0463 2.8104 3.1087 2.5548 1.7915 1.7793 4.5853
H10 2.7954 2.1797 1.1030 4.0463 2.8104 2.5548 3.1087 1.7915 1.7793 4.5853
H11 1.8637 3.1927 4.3918 0.9701 2.2674 3.4698 3.4698 5.3064 4.5853 4.5853
Maximum atom distance is 5.3064Å between atoms H8 and H11.
picture of Propanoic Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.481 C2 C1 O4 111.386
C2 C1 O5 125.769 O4 C1 O5 122.845
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.412 C1 C2 H7 107.412
C1 O4 H11 105.407 C2 C3 H8 110.503
C2 C3 H9 110.776 C2 C3 H10 110.776
C3 C2 H6 111.719 C3 C2 H7 111.719
H6 C2 H7 105.728 H8 C3 H9 108.583
H8 C3 H10 108.583 H9 C3 H10 107.526

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