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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/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 0.8608   0.8608 0.0000 0.0000
C2 0.0000 0.7379 -0.3722   -0.3722 0.0000 0.7379
C3 0.0000 -0.7379 -0.3722   -0.3722 0.0000 -0.7379
H4 0.9344 1.2814 -0.6049   -0.6049 0.9344 1.2814
H5 -0.9344 1.2814 -0.6049   -0.6049 -0.9344 1.2814
H6 -0.9344 -1.2814 -0.6049   -0.6049 -0.9344 -1.2814
H7 0.9344 -1.2814 -0.6049   -0.6049 0.9344 -1.2814
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4370 1.4370 2.1595 2.1595 2.1595 2.1595
C2 1.4370 1.4759 1.1057 1.1057 2.2372 2.2372
C3 1.4370 1.4759 2.2372 2.2372 1.1057 1.1057
H4 2.1595 1.1057 2.2372 1.8689 3.1718 2.5627
H5 2.1595 1.1057 2.2372 1.8689 2.5627 3.1718
H6 2.1595 2.2372 1.1057 3.1718 2.5627 1.8689
H7 2.1595 2.2372 1.1057 2.5627 3.1718 1.8689
Maximum atom distance is 3.1718Å 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 61.798
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.654 O1 C2 H5 115.654
O1 C3 H6 115.654 O1 C3 H7 115.654
C2 C3 H6 119.437 C2 C3 H7 119.437
C3 C2 H4 119.437 C3 C2 H5 119.437
H4 C2 H5 115.364 H6 C3 H7 115.364

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