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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

PBEPBE/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8610   0.0000 0.8610 0.0000
C2 0.0000 0.7357 -0.3743   0.7357 -0.3743 0.0000
C3 0.0000 -0.7357 -0.3743   -0.7357 -0.3743 0.0000
H4 0.9269 1.2745 -0.5993   1.2745 -0.5993 0.9269
H5 -0.9269 1.2745 -0.5993   1.2745 -0.5993 -0.9269
H6 -0.9269 -1.2745 -0.5993   -1.2745 -0.5993 -0.9269
H7 0.9269 -1.2745 -0.5993   -1.2745 -0.5993 0.9269
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4378 1.4378 2.1485 2.1485 2.1485 2.1485
C2 1.4378 1.4713 1.0955 1.0955 2.2250 2.2250
C3 1.4378 1.4713 2.2250 2.2250 1.0955 1.0955
H4 2.1485 1.0955 2.2250 1.8538 3.1518 2.5490
H5 2.1485 1.0955 2.2250 1.8538 2.5490 3.1518
H6 2.1485 2.2250 1.0955 3.1518 2.5490 1.8538
H7 2.1485 2.2250 1.0955 2.5490 3.1518 1.8538
Maximum atom distance is 3.1518Å 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 59.225 O1 C3 C2 59.225
C2 O1 C3 61.551
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.350 O1 C2 H5 115.350
O1 C3 H6 115.350 O1 C3 H7 115.350
C2 C3 H6 119.463 C2 C3 H7 119.463
C3 C2 H4 119.463 C3 C2 H5 119.463
H4 C2 H5 115.580 H6 C3 H7 115.580

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