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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

MP2/CEP-121G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4162   1.4162 0.0000 0.0000
C2 0.0000 0.0000 0.0560   0.0560 0.0000 0.0000
H3 0.0000 0.9242 1.9755   1.9755 0.0000 0.9242
H4 0.0000 -0.9242 1.9755   1.9755 0.0000 -0.9242
O5 0.0000 1.0879 -0.7681   -0.7681 0.0000 1.0879
O6 0.0000 -1.0879 -0.7681   -0.7681 0.0000 -1.0879
C7 0.0000 2.3628 -0.1060   -0.1060 0.0000 2.3628
C8 0.0000 -2.3628 -0.1060   -0.1060 0.0000 -2.3628
H9 0.0000 3.0986 -0.9102   -0.9102 0.0000 3.0986
H10 0.0000 -3.0986 -0.9102   -0.9102 0.0000 -3.0986
H11 -0.8978 2.4785 0.5116   0.5116 -0.8978 2.4785
H12 0.8978 2.4785 0.5116   0.5116 0.8978 2.4785
H13 0.8978 -2.4785 0.5116   0.5116 0.8978 -2.4785
H14 -0.8978 -2.4785 0.5116   0.5116 -0.8978 -2.4785
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3602 1.0803 1.0803 2.4402 2.4402 2.8107 2.8107 3.8747 3.8747 2.7870 2.7870 2.7870 2.7870
C2 1.3602 2.1304 2.1304 1.3648 1.3648 2.3684 2.3684 3.2457 3.2457 2.6752 2.6752 2.6752 2.6752
H3 1.0803 2.1304 1.8484 2.7485 3.4024 2.5303 3.8907 3.6132 4.9507 2.3162 2.3162 3.8115 3.8115
H4 1.0803 2.1304 1.8484 3.4024 2.7485 3.8907 2.5303 4.9507 3.6132 3.8115 3.8115 2.3162 2.3162
O5 2.4402 1.3648 2.7485 3.4024 2.1757 1.4366 3.5136 2.0157 4.1889 2.0923 2.0923 3.8939 3.8939
O6 2.4402 1.3648 3.4024 2.7485 2.1757 3.5136 1.4366 4.1889 2.0157 3.8939 3.8939 2.0923 2.0923
C7 2.8107 2.3684 2.5303 3.8907 1.4366 3.5136 4.7257 1.0899 5.5203 1.0959 1.0959 4.9625 4.9625
C8 2.8107 2.3684 3.8907 2.5303 3.5136 1.4366 4.7257 5.5203 1.0899 4.9625 4.9625 1.0959 1.0959
H9 3.8747 3.2457 3.6132 4.9507 2.0157 4.1889 1.0899 5.5203 6.1972 1.7922 1.7922 5.8251 5.8251
H10 3.8747 3.2457 4.9507 3.6132 4.1889 2.0157 5.5203 1.0899 6.1972 5.8251 5.8251 1.7922 1.7922
H11 2.7870 2.6752 2.3162 3.8115 2.0923 3.8939 1.0959 4.9625 1.7922 5.8251 1.7956 5.2722 4.9570
H12 2.7870 2.6752 2.3162 3.8115 2.0923 3.8939 1.0959 4.9625 1.7922 5.8251 1.7956 4.9570 5.2722
H13 2.7870 2.6752 3.8115 2.3162 3.8939 2.0923 4.9625 1.0959 5.8251 1.7922 5.2722 4.9570 1.7956
H14 2.7870 2.6752 3.8115 2.3162 3.8939 2.0923 4.9625 1.0959 5.8251 1.7922 4.9570 5.2722 1.7956
Maximum atom distance is 6.1972Å 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 127.147 C1 C2 O6 127.147
C2 O5 C7 115.409 C2 O6 C8 115.409
O5 C2 O6 105.706
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.181 C2 C1 H4 121.181
H3 C1 H4 117.638 O5 C7 H9 105.013
O5 C7 H11 110.697 O5 C7 H12 110.697
O6 C8 H10 105.013 O6 C8 H13 110.697
O6 C8 H14 110.697 H9 C7 H11 110.156
H9 C7 H12 110.156 H10 C8 H13 110.156
H10 C8 H14 110.156 H11 C7 H12 110.022
H13 C8 H14 110.022

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