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Geometry for C2H4F2 (1,2-difluoroethane) 1A C2 gauche

1910171554
InChI=1S/C2H4F2/c3-1-2-4/h1-2H2 INChIKey=AHFMSNDOYCFEPH-UHFFFAOYSA-N

B3LYP/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2810 0.7035 0.5157   0.5394 0.2322 0.7035
C2 -0.2810 -0.7035 0.5157   0.4876 -0.3274 -0.7035
F3 -0.2810 1.4512 -0.5518   -0.5753 -0.2289 1.4512
F4 0.2810 -1.4512 -0.5518   -0.5235 0.3307 -1.4512
H5 0.0409 1.1864 1.4702   1.4677 -0.0949 1.1864
H6 1.3687 0.6530 0.4014   0.5259 1.3258 0.6530
H7 -0.0409 -1.1864 1.4702   1.4601 -0.1763 -1.1864
H8 -1.3687 -0.6530 0.4014   0.2734 -1.3999 -0.6530
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5151 1.4193 2.4046 1.0963 1.0949 2.1415 2.1389
C2 1.5151 2.4046 1.4193 2.1415 2.1389 1.0963 1.0949
F3 1.4193 2.4046 2.9563 2.0645 2.0657 3.3321 2.5533
F4 2.4046 1.4193 2.9563 3.3321 2.5533 2.0645 2.0657
H5 1.0963 2.1415 2.0645 3.3321 1.7860 2.3741 2.5520
H6 1.0949 2.1389 2.0657 2.5533 1.7860 2.5520 3.0330
H7 2.1415 1.0963 3.3321 2.0645 2.3741 2.5520 1.7860
H8 2.1389 1.0949 2.5533 2.0657 2.5520 3.0330 1.7860
Maximum atom distance is 3.3321Å between atoms F3 and H7.
picture of 1,2-difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 110.021 C2 C1 F3 110.021
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.137 C1 C2 H8 109.009
C2 C1 H5 109.137 C2 C1 H6 109.009
F3 C1 H5 109.637 F3 C1 H6 109.821
F4 C2 H7 109.637 F4 C2 H8 109.821
H5 C1 H6 109.196 H7 C2 H8 109.196

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