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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

wB97X-D/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6098 0.0000   -0.0143 0.6096 0.0000
C2 0.9976 -0.5306 0.0000   1.0098 -0.5071 0.0000
Cl3 -1.6704 -0.0468 0.0000   -1.6689 -0.0860 0.0000
F4 2.2687 0.0188 0.0000   2.2676 0.0720 0.0000
H5 0.1121 1.2253 0.8903   0.0834 1.2276 0.8903
H6 0.1121 1.2253 -0.8903   0.0834 1.2276 -0.8903
H7 0.8849 -1.1493 0.8932   0.9116 -1.1283 0.8932
H8 0.8849 -1.1493 -0.8932   0.9116 -1.1283 -0.8932
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5151 1.7949 2.3444 1.0882 1.0882 2.1622 2.1622
C2 1.5151 2.7115 1.3847 2.1587 2.1587 1.0924 1.0924
Cl3 1.7949 2.7115 3.9396 2.3640 2.3640 2.9228 2.9228
F4 2.3444 1.3847 3.9396 2.6266 2.6266 2.0192 2.0192
H5 1.0882 2.1587 2.3640 2.6266 1.7806 2.4972 3.0687
H6 1.0882 2.1587 2.3640 2.6266 1.7806 3.0687 2.4972
H7 2.1622 1.0924 2.9228 2.0192 2.4972 3.0687 1.7863
H8 2.1622 1.0924 2.9228 2.0192 3.0687 2.4972 1.7863
Maximum atom distance is 3.9396Å 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 107.805 C2 C1 Cl3 109.721
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.002 C1 C2 H8 111.002
C2 C1 H5 110.972 C2 C1 H6 110.972
Cl3 C1 H5 107.628 Cl3 C1 H6 107.628
F4 C2 H7 108.628 F4 C2 H8 108.628
H5 C1 H6 109.802 H7 C2 H8 109.696

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