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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

B97D3/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8643   0.8643 0.0000 0.0000
C2 0.0000 0.7369 -0.3780   -0.3780 0.0000 0.7369
C3 0.0000 -0.7369 -0.3780   -0.3780 0.0000 -0.7369
H4 0.9294 1.2787 -0.5946   -0.5946 0.9294 1.2787
H5 -0.9294 1.2787 -0.5946   -0.5946 -0.9294 1.2787
H6 -0.9294 -1.2787 -0.5946   -0.5946 -0.9294 -1.2787
H7 0.9294 -1.2787 -0.5946   -0.5946 0.9294 -1.2787
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4444 1.4444 2.1511 2.1511 2.1511 2.1511
C2 1.4444 1.4738 1.0974 1.0974 2.2301 2.2301
C3 1.4444 1.4738 2.2301 2.2301 1.0974 1.0974
H4 2.1511 1.0974 2.2301 1.8589 3.1616 2.5574
H5 2.1511 1.0974 2.2301 1.8589 2.5574 3.1616
H6 2.1511 2.2301 1.0974 3.1616 2.5574 1.8589
H7 2.1511 2.2301 1.0974 2.5574 3.1616 1.8589
Maximum atom distance is 3.1616Å 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 59.324 O1 C3 C2 59.324
C2 O1 C3 61.351
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.941 O1 C2 H5 114.941
O1 C3 H6 114.941 O1 C3 H7 114.941
C2 C3 H6 119.585 C2 C3 H7 119.585
C3 C2 H4 119.585 C3 C2 H5 119.585
H4 C2 H5 115.756 H6 C3 H7 115.756

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