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Geometry for C4H8O2 (Ethene, 1,1-dimethoxy-) 1A1 C2V

1910171554
InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3 INChIKey=FJTRNRFAIZEJJJ-UHFFFAOYSA-N

HF/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4145   1.4145 0.0000 0.0000
C2 0.0000 0.0000 0.0849   0.0849 0.0000 0.0000
H3 0.0000 0.9126 1.9724   1.9724 0.0000 0.9126
H4 0.0000 -0.9126 1.9724   1.9724 0.0000 -0.9126
O5 0.0000 1.0669 -0.7059   -0.7059 0.0000 1.0669
O6 0.0000 -1.0669 -0.7059   -0.7059 0.0000 -1.0669
C7 0.0000 2.3443 -0.1344   -0.1344 0.0000 2.3443
C8 0.0000 -2.3443 -0.1344   -0.1344 0.0000 -2.3443
H9 0.0000 3.0396 -0.9586   -0.9586 0.0000 3.0396
H10 0.0000 -3.0396 -0.9586   -0.9586 0.0000 -3.0396
H11 -0.8850 2.5017 0.4708   0.4708 -0.8850 2.5017
H12 0.8850 2.5017 0.4708   0.4708 0.8850 2.5017
H13 0.8850 -2.5017 0.4708   0.4708 0.8850 -2.5017
H14 -0.8850 -2.5017 0.4708   0.4708 -0.8850 -2.5017
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3296 1.0696 1.0696 2.3737 2.3737 2.8098 2.8098 3.8563 3.8563 2.8164 2.8164 2.8164 2.8164
C2 1.3296 2.0966 2.0966 1.3280 1.3280 2.3545 2.3545 3.2137 3.2137 2.6815 2.6815 2.6815 2.6815
H3 1.0696 2.0966 1.8252 2.6828 3.3304 2.5472 3.8789 3.6215 4.9205 2.3586 2.3586 3.8334 3.8334
H4 1.0696 2.0966 1.8252 3.3304 2.6828 3.8789 2.5472 4.9205 3.6215 3.8334 3.8334 2.3586 2.3586
O5 2.3737 1.3280 2.6828 3.3304 2.1337 1.3995 3.4587 1.9889 4.1142 2.0559 2.0559 3.8604 3.8604
O6 2.3737 1.3280 3.3304 2.6828 2.1337 3.4587 1.3995 4.1142 1.9889 3.8604 3.8604 2.0559 2.0559
C7 2.8098 2.3545 2.5472 3.8789 1.3995 3.4587 4.6886 1.0783 5.4466 1.0836 1.0836 4.9631 4.9631
C8 2.8098 2.3545 3.8789 2.5472 3.4587 1.3995 4.6886 5.4466 1.0783 4.9631 4.9631 1.0836 1.0836
H9 3.8563 3.2137 3.6215 4.9205 1.9889 4.1142 1.0783 5.4466 6.0792 1.7652 1.7652 5.7907 5.7907
H10 3.8563 3.2137 4.9205 3.6215 4.1142 1.9889 5.4466 1.0783 6.0792 5.7907 5.7907 1.7652 1.7652
H11 2.8164 2.6815 2.3586 3.8334 2.0559 3.8604 1.0836 4.9631 1.7652 5.7907 1.7700 5.3072 5.0033
H12 2.8164 2.6815 2.3586 3.8334 2.0559 3.8604 1.0836 4.9631 1.7652 5.7907 1.7700 5.0033 5.3072
H13 2.8164 2.6815 3.8334 2.3586 3.8604 2.0559 4.9631 1.0836 5.7907 1.7652 5.3072 5.0033 1.7700
H14 2.8164 2.6815 3.8334 2.3586 3.8604 2.0559 4.9631 1.0836 5.7907 1.7652 5.0033 5.3072 1.7700
Maximum atom distance is 6.0792Å between atoms H9 and H10.
picture of Ethene, 1,1-dimethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O5 126.548 C1 C2 O6 126.548
C2 O5 C7 119.346 C2 O6 C8 119.346
O5 C2 O6 106.904
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.439 C2 C1 H4 121.439
H3 C1 H4 117.122 O5 C7 H9 106.045
O5 C7 H11 111.141 O5 C7 H12 111.141
O6 C8 H10 106.045 O6 C8 H13 111.141
O6 C8 H14 111.141 H9 C7 H11 109.466
H9 C7 H12 109.466 H10 C8 H13 109.466
H10 C8 H14 109.466 H11 C7 H12 109.510
H13 C8 H14 109.510

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