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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

mPW1PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6420 0.0000   0.0255 0.6415 0.0000
C2 1.0294 -0.4703 0.0000   1.0099 -0.5108 0.0000
Cl3 -1.6976 -0.1569 0.0000   -1.7024 -0.0894 0.0000
F4 2.3048 0.1459 0.0000   2.3088 0.0543 0.0000
H5 0.0561 1.2529 0.8975   0.1058 1.2497 0.8975
H6 0.0561 1.2529 -0.8975   0.1058 1.2497 -0.8975
H7 0.9132 -1.0911 0.8915   0.8692 -1.1265 0.8915
H8 0.9132 -1.0911 -0.8915   0.8692 -1.1265 -0.8915
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5156 1.8762 2.3576 1.0871 1.0871 2.1523 2.1523
C2 1.5156 2.7449 1.4166 2.1731 2.1731 1.0925 1.0925
Cl3 1.8762 2.7449 4.0138 2.4225 2.4225 2.9126 2.9126
F4 2.3576 1.4166 4.0138 2.6623 2.6623 2.0643 2.0643
H5 1.0871 2.1731 2.4225 2.6623 1.7949 2.4958 3.0707
H6 1.0871 2.1731 2.4225 2.6623 1.7949 3.0707 2.4958
H7 2.1523 1.0925 2.9126 2.0643 2.4958 3.0707 1.7829
H8 2.1523 1.0925 2.9126 2.0643 3.0707 2.4958 1.7829
Maximum atom distance is 4.0138Å 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 106.993 C2 C1 Cl3 107.577
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.172 C1 C2 H8 110.172
C2 C1 H5 112.172 C2 C1 H6 112.172
Cl3 C1 H5 106.619 Cl3 C1 H6 106.619
F4 C2 H7 110.054 F4 C2 H8 110.054
H5 C1 H6 111.290 H7 C2 H8 109.372

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