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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

mPW1PW91/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 0.8517   0.0000 0.8517 0.0000
C2 0.0000 0.7322 -0.3718   0.7322 -0.3718 0.0000
C3 0.0000 -0.7322 -0.3718   -0.7322 -0.3718 0.0000
H4 0.9249 1.2700 -0.5881   1.2700 -0.5881 0.9249
H5 -0.9249 1.2700 -0.5881   1.2700 -0.5881 -0.9249
H6 -0.9249 -1.2700 -0.5881   -1.2700 -0.5881 -0.9249
H7 0.9249 -1.2700 -0.5881   -1.2700 -0.5881 0.9249
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4258 1.4258 2.1311 2.1311 2.1311 2.1311
C2 1.4258 1.4643 1.0916 1.0916 2.2161 2.2161
C3 1.4258 1.4643 2.2161 2.2161 1.0916 1.0916
H4 2.1311 1.0916 2.2161 1.8498 3.1422 2.5400
H5 2.1311 1.0916 2.2161 1.8498 2.5400 3.1422
H6 2.1311 2.2161 1.0916 3.1422 2.5400 1.8498
H7 2.1311 2.2161 1.0916 2.5400 3.1422 1.8498
Maximum atom distance is 3.1422Å 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 59.101 O1 C3 C2 59.101
C2 O1 C3 61.797
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.030 O1 C2 H5 115.030
O1 C3 H6 115.030 O1 C3 H7 115.030
C2 C3 H6 119.519 C2 C3 H7 119.519
C3 C2 H4 119.519 C3 C2 H5 119.519
H4 C2 H5 115.842 H6 C3 H7 115.842

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