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Geometry for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-) 1A' CS

1910171554
InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2 INChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N

MP3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6213 0.0000   0.0187 -0.6210 0.0000
C2 0.9891 -0.5247 0.0000   -1.0044 0.4947 0.0000
Cl3 -1.6660 -0.0454 0.0000   1.6639 0.0955 0.0000
F4 2.2676 0.0011 0.0000   -2.2666 -0.0694 0.0000
H5 0.1186 1.2322 0.8884   -0.0814 -1.2352 0.8884
H6 0.1186 1.2322 -0.8884   -0.0814 -1.2352 -0.8884
H7 0.8708 -1.1415 0.8891   -0.9048 1.1148 0.8891
H8 0.8708 -1.1415 -0.8891   -0.9048 1.1148 -0.8891
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5138 1.7944 2.3509 1.0846 1.0846 2.1578 2.1578
C2 1.5138 2.6980 1.3825 2.1526 2.1526 1.0885 1.0885
Cl3 1.7944 2.6980 3.9339 2.3677 2.3677 2.9030 2.9030
F4 2.3509 1.3825 3.9339 2.6312 2.6312 2.0117 2.0117
H5 1.0846 2.1526 2.3677 2.6312 1.7767 2.4900 3.0593
H6 1.0846 2.1526 2.3677 2.6312 1.7767 3.0593 2.4900
H7 2.1578 1.0885 2.9030 2.0117 2.4900 3.0593 1.7782
H8 2.1578 1.0885 2.9030 2.0117 3.0593 2.4900 1.7782
Maximum atom distance is 3.9339Å between atoms Cl3 and F4.
picture of Ethane, 1-chloro-2-fluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 108.440 C2 C1 Cl3 108.988
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.977 C1 C2 H8 110.977
C2 C1 H5 110.791 C2 C1 H6 110.791
Cl3 C1 H5 108.103 Cl3 C1 H6 108.103
F4 C2 H7 108.419 F4 C2 H8 108.419
H5 C1 H6 109.977 H7 C2 H8 109.530

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