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Geometry for C2H2O (Oxirene) 1A1 C2V

1910171554
InChI=1S/C2H2O/c1-2-3-1/h1-2H INChIKey=BJEYNNFDAPPGST-UHFFFAOYSA-N

HF/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9276   0.9276 0.0000 0.0000
C2 0.0000 0.6312 -0.4854   -0.4854 0.6312 0.0000
C3 0.0000 -0.6312 -0.4854   -0.4854 -0.6312 0.0000
H4 0.0000 1.6432 -0.7980   -0.7980 1.6432 0.0000
H5 0.0000 -1.6432 -0.7980   -0.7980 -1.6432 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5476 1.5476 2.3828 2.3828
C2 1.5476 1.2623 1.0592 2.2958
C3 1.5476 1.2623 2.2958 1.0592
H4 2.3828 1.0592 2.2958 3.2864
H5 2.3828 2.2958 1.0592 3.2864
Maximum atom distance is 3.2864Å between atoms H4 and H5.
picture of Oxirene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 65.930 O1 C3 C2 65.930
C2 O1 C3 48.139
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 131.234 O1 C3 H5 131.234
C2 C3 H5 162.836 C3 C2 H4 162.836

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