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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

CCSD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6059 0.0000   0.0144 -0.6058 0.0000
C2 0.9904 -0.5430 0.0000   -1.0030 0.5193 0.0000
Cl3 -1.6695 -0.0349 0.0000   1.6682 0.0746 0.0000
F4 2.2695 0.0109 0.0000   -2.2686 -0.0648 0.0000
H5 0.1306 1.2240 0.8908   -0.1015 -1.2267 0.8908
H6 0.1306 1.2240 -0.8908   -0.1015 -1.2267 -0.8908
H7 0.8759 -1.1651 0.8942   -0.9033 1.1440 0.8942
H8 0.8759 -1.1651 -0.8942   -0.9033 1.1440 -0.8942
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5169 1.7882 2.3462 1.0921 1.0921 2.1687 2.1687
C2 1.5169 2.7079 1.3939 2.1575 2.1575 1.0953 1.0953
Cl3 1.7882 2.7079 3.9392 2.3704 2.3704 2.9250 2.9250
F4 2.3462 1.3939 3.9392 2.6154 2.6154 2.0310 2.0310
H5 1.0921 2.1575 2.3704 2.6154 1.7817 2.5026 3.0740
H6 1.0921 2.1575 2.3704 2.6154 1.7817 3.0740 2.5026
H7 2.1687 1.0953 2.9250 2.0310 2.5026 3.0740 1.7884
H8 2.1687 1.0953 2.9250 2.0310 3.0740 2.5026 1.7884
Maximum atom distance is 3.9392Å 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 107.347 C2 C1 Cl3 109.761
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.221 C1 C2 H8 111.221
C2 C1 H5 110.523 C2 C1 H6 110.523
Cl3 C1 H5 108.328 Cl3 C1 H6 108.328
F4 C2 H7 108.761 F4 C2 H8 108.761
H5 C1 H6 109.319 H7 C2 H8 109.448

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