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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

CCSD/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8506   0.8506 0.0000 0.0000
C2 0.0000 0.7357 -0.3700   -0.3700 0.0000 0.7357
C3 0.0000 -0.7357 -0.3700   -0.3700 0.0000 -0.7357
H4 0.9218 1.2701 -0.5911   -0.5911 0.9218 1.2701
H5 -0.9218 1.2701 -0.5911   -0.5911 -0.9218 1.2701
H6 -0.9218 -1.2701 -0.5911   -0.5911 -0.9218 -1.2701
H7 0.9218 -1.2701 -0.5911   -0.5911 0.9218 -1.2701
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4252 1.4252 2.1311 2.1311 2.1311 2.1311
C2 1.4252 1.4714 1.0882 1.0882 2.2185 2.2185
C3 1.4252 1.4714 2.2185 2.2185 1.0882 1.0882
H4 2.1311 1.0882 2.2185 1.8436 3.1387 2.5402
H5 2.1311 1.0882 2.2185 1.8436 2.5402 3.1387
H6 2.1311 2.2185 1.0882 3.1387 2.5402 1.8436
H7 2.1311 2.2185 1.0882 2.5402 3.1387 1.8436
Maximum atom distance is 3.1387Å 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 58.921 O1 C3 C2 58.921
C2 O1 C3 62.158
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.311 O1 C2 H5 115.311
O1 C3 H6 115.311 O1 C3 H7 115.311
C2 C3 H6 119.411 C2 C3 H7 119.411
C3 C2 H4 119.411 C3 C2 H5 119.411
H4 C2 H5 115.793 H6 C3 H7 115.793

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