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Geometry for CHFCHCl ((E)-1-chloro-2-fluoroethene) 1A' CS

1910171554
InChI=1S/C2H2ClF/c3-1-2-4/h1-2H/b2-1+ INChIKey=MTKHTBWXSHYCGS-OWOJBTEDSA-N

HF/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5038 0.0000   -0.0188 -0.5035 0.0000
C2 1.0499 -0.2639 0.0000   -1.0393 0.3028 0.0000
Cl3 -1.6508 -0.2372 0.0000   1.6585 0.1756 0.0000
F4 2.3023 0.2616 0.0000   -2.3105 -0.1757 0.0000
H5 0.0144 1.5673 0.0000   -0.0727 -1.5656 0.0000
H6 1.0292 -1.3294 0.0000   -0.9790 1.3668 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3006 1.8095 2.3150 1.0636 2.1024
C2 1.3006 2.7008 1.3582 2.1036 1.0657
Cl3 1.8095 2.7008 3.9845 2.4554 2.8940
F4 2.3150 1.3582 3.9845 2.6343 2.0377
H5 1.0636 2.1036 2.4554 2.6343 3.0693
H6 2.1024 1.0657 2.8940 2.0377 3.0693
Maximum atom distance is 3.9845Å between atoms Cl3 and F4.
picture of (E)-1-chloro-2-fluoroethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 121.063 C2 C1 Cl3 119.651
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 125.067 C2 C1 H5 125.400
Cl3 C1 H5 114.949 F4 C2 H6 113.870

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