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Geometry for CHOCH2OH (hydroxy acetaldehyde) 1A' CS H in

1910171554
InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 INChIKey=WGCNASOHLSPBMP-UHFFFAOYSA-N

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9411 0.0000   0.6857 -0.6446 0.0000
C2 0.9460 -0.2438 0.0000   0.4703 0.8563 0.0000
O3 -1.3685 0.5438 0.0000   -0.5410 -1.3696 0.0000
O4 0.5423 -1.4004 0.0000   -0.6489 1.3543 0.0000
H5 -1.4800 -0.4052 0.0000   -1.3089 -0.8008 0.0000
H6 0.2008 1.5495 0.8773   1.2665 -0.9150 0.8773
H7 0.2008 1.5495 -0.8773   1.2665 -0.9150 -0.8773
H8 2.0120 -0.0250 0.0000   1.3598 1.4831 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 H5 H6 H7 H8
C1 1.5162 1.4250 2.4035 2.0007 1.0863 1.0863 2.2319
C2 1.5162 2.4448 1.2250 2.4313 2.1309 2.1309 1.0882
O3 1.4250 2.4448 2.7260 0.9556 2.0600 2.0600 3.4280
O4 2.4035 1.2250 2.7260 2.2539 3.0965 3.0965 2.0128
H5 2.0007 2.4313 0.9556 2.2539 2.7231 2.7231 3.5126
H6 1.0863 2.1309 2.0600 3.0965 2.7231 1.7546 2.5552
H7 1.0863 2.1309 2.0600 3.0965 2.7231 1.7546 2.5552
H8 2.2319 1.0882 3.4280 2.0128 3.5126 2.5552 2.5552
Maximum atom distance is 3.5126Å between atoms H5 and H8.
picture of hydroxy acetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 122.159 C2 C1 O3 112.413
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 117.004 C1 O3 H5 112.891
C2 C1 H6 108.807 C2 C1 H7 108.807
O3 C1 H6 109.489 O3 C1 H7 109.489
O4 C2 H8 120.838 H6 C1 H7 107.721

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