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Geometry for CH2CHOH (ethenol) 1A' CS

1910171554
InChI=1S/C2H4O/c1-2-3/h2-3H,1H2 INChIKey=IMROMDMJAWUWLK-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2217 -0.1233 0.0000   -1.2080 0.2202 0.0000
C2 0.0000 0.4434 0.0000   -0.0353 -0.4420 0.0000
O3 -1.2049 -0.1996 0.0000   1.2169 0.1030 0.0000
H4 1.3580 -1.2123 0.0000   -1.2572 1.3165 0.0000
H5 2.1138 0.5084 0.0000   -2.1476 -0.3385 0.0000
H6 -0.1396 1.5305 0.0000   0.0173 -1.5368 0.0000
H7 -1.0237 -1.1503 0.0000   1.1121 1.0652 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.3468 2.4278 1.0974 1.0931 2.1421 2.4692
C2 1.3468 1.3657 2.1414 2.1148 1.0961 1.8942
O3 2.4278 1.3657 2.7557 3.3933 2.0318 0.9679
H4 1.0974 2.1414 2.7557 1.8793 3.1251 2.3826
H5 1.0931 2.1148 3.3933 1.8793 2.4744 3.5490
H6 2.1421 1.0961 2.0318 3.1251 2.4744 2.8229
H7 2.4692 1.8942 0.9679 2.3826 3.5490 2.8229
Maximum atom distance is 3.5490Å between atoms H5 and H7.
picture of ethenol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 127.030
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.203 C2 C1 H4 122.020
C2 C1 H5 119.810 C2 O3 H7 107.299
O3 C2 H6 110.767 H4 C1 H5 118.171

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