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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

M06-2X/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4075   1.4075 0.0000 0.0000
C2 0.0000 0.0000 0.0669   0.0669 0.0000 0.0000
H3 0.0000 0.9227 1.9672   1.9672 0.0000 0.9227
H4 0.0000 -0.9227 1.9672   1.9672 0.0000 -0.9227
O5 0.0000 1.0791 -0.7380   -0.7380 0.0000 1.0791
O6 0.0000 -1.0791 -0.7380   -0.7380 0.0000 -1.0791
C7 0.0000 2.3387 -0.1035   -0.1035 0.0000 2.3387
C8 0.0000 -2.3387 -0.1035   -0.1035 0.0000 -2.3387
H9 0.0000 3.0796 -0.9025   -0.9025 0.0000 3.0796
H10 0.0000 -3.0796 -0.9025   -0.9025 0.0000 -3.0796
H11 -0.8938 2.4641 0.5188   0.5188 -0.8938 2.4641
H12 0.8938 2.4641 0.5188   0.5188 0.8938 2.4641
H13 0.8938 -2.4641 0.5188   0.5188 0.8938 -2.4641
H14 -0.8938 -2.4641 0.5188   0.5188 -0.8938 -2.4641
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6 C7 C8 H9 H10 H11 H12 H13 H14
C1 1.3406 1.0791 1.0791 2.4016 2.4016 2.7844 2.7844 3.8497 3.8497 2.7678 2.7678 2.7678 2.7678
C2 1.3406 2.1125 2.1125 1.3462 1.3462 2.3449 2.3449 3.2286 3.2286 2.6599 2.6599 2.6599 2.6599
H3 1.0791 2.1125 1.8453 2.7097 3.3653 2.5086 3.8632 3.5900 4.9248 2.2962 2.2962 3.7904 3.7904
H4 1.0791 2.1125 1.8453 3.3653 2.7097 3.8632 2.5086 4.9248 3.5900 3.7904 3.7904 2.2962 2.2962
O5 2.4016 1.3462 2.7097 3.3653 2.1582 1.4103 3.4762 2.0073 4.1620 2.0728 2.0728 3.8643 3.8643
O6 2.4016 1.3462 3.3653 2.7097 2.1582 3.4762 1.4103 4.1620 2.0073 3.8643 3.8643 2.0728 2.0728
C7 2.7844 2.3449 2.5086 3.8632 1.4103 3.4762 4.6774 1.0897 5.4769 1.0963 1.0963 4.9247 4.9247
C8 2.7844 2.3449 3.8632 2.5086 3.4762 1.4103 4.6774 5.4769 1.0897 4.9247 4.9247 1.0963 1.0963
H9 3.8497 3.2286 3.5900 4.9248 2.0073 4.1620 1.0897 5.4769 6.1593 1.7883 1.7883 5.7924 5.7924
H10 3.8497 3.2286 4.9248 3.5900 4.1620 2.0073 5.4769 1.0897 6.1593 5.7924 5.7924 1.7883 1.7883
H11 2.7678 2.6599 2.2962 3.7904 2.0728 3.8643 1.0963 4.9247 1.7883 5.7924 1.7875 5.2424 4.9282
H12 2.7678 2.6599 2.2962 3.7904 2.0728 3.8643 1.0963 4.9247 1.7883 5.7924 1.7875 4.9282 5.2424
H13 2.7678 2.6599 3.7904 2.2962 3.8643 2.0728 4.9247 1.0963 5.7924 1.7883 5.2424 4.9282 1.7875
H14 2.7678 2.6599 3.7904 2.2962 3.8643 2.0728 4.9247 1.0963 5.7924 1.7883 4.9282 5.2424 1.7875
Maximum atom distance is 6.1593Å 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 126.718 C1 C2 O6 126.718
C2 O5 C7 116.547 C2 O6 C8 116.547
O5 C2 O6 106.564
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 121.240 C2 C1 H4 121.240
H3 C1 H4 117.519 O5 C7 H9 106.107
O5 C7 H11 110.950 O5 C7 H12 110.950
O6 C8 H10 106.107 O6 C8 H13 110.950
O6 C8 H14 110.950 H9 C7 H11 109.783
H9 C7 H12 109.783 H10 C8 H13 109.783
H10 C8 H14 109.783 H11 C7 H12 109.225
H13 C8 H14 109.225

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