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Geometry for C2H4O (Ethylene oxide) 1A1 C2V

1910171554
InChI=1S/C2H4O/c1-2-3-1/h1-2H2 INChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N

CCD/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8495   0.8495 0.0000 0.0000
C2 0.0000 0.7319 -0.3709   -0.3709 0.0000 0.7319
C3 0.0000 -0.7319 -0.3709   -0.3709 0.0000 -0.7319
H4 0.9184 1.2631 -0.5863   -0.5863 0.9184 1.2631
H5 -0.9184 1.2631 -0.5863   -0.5863 -0.9184 1.2631
H6 -0.9184 -1.2631 -0.5863   -0.5863 -0.9184 -1.2631
H7 0.9184 -1.2631 -0.5863   -0.5863 0.9184 -1.2631
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4231 1.4231 2.1214 2.1214 2.1214 2.1214
C2 1.4231 1.4637 1.0826 1.0826 2.2067 2.2067
C3 1.4231 1.4637 2.2067 2.2067 1.0826 1.0826
H4 2.1214 1.0826 2.2067 1.8367 3.1234 2.5262
H5 2.1214 1.0826 2.2067 1.8367 2.5262 3.1234
H6 2.1214 2.2067 1.0826 3.1234 2.5262 1.8367
H7 2.1214 2.2067 1.0826 2.5262 3.1234 1.8367
Maximum atom distance is 3.1234Å between atoms H4 and H6.
picture of Ethylene oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 59.051 O1 C3 C2 59.051
C2 O1 C3 61.898
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.024 O1 C2 H5 115.024
O1 C3 H6 115.024 O1 C3 H7 115.024
C2 C3 H6 119.389 C2 C3 H7 119.389
C3 C2 H4 119.389 C3 C2 H5 119.389
H4 C2 H5 116.053 H6 C3 H7 116.053

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