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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4898 0.0000   -0.0079 -0.4897 0.0000
C2 1.0607 -0.3325 0.0000   -1.0552 0.3495 0.0000
Cl3 -1.6865 -0.1809 0.0000   1.6892 0.1539 0.0000
F4 2.3539 0.2197 0.0000   -2.3571 -0.1820 0.0000
H5 0.0526 1.5713 0.0000   -0.0778 -1.5703 0.0000
H6 1.0686 -1.4167 0.0000   -1.0457 1.4337 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3422 1.8150 2.3693 1.0828 2.1856
C2 1.3422 2.7514 1.4062 2.1543 1.0842
Cl3 1.8150 2.7514 4.0602 2.4688 3.0196
F4 2.3693 1.4062 4.0602 2.6688 2.0808
H5 1.0828 2.1543 2.4688 2.6688 3.1560
H6 2.1856 1.0842 3.0196 2.0808 3.1560
Maximum atom distance is 4.0602Å 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 119.089 C2 C1 Cl3 120.526
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 128.202 C2 C1 H5 125.000
Cl3 C1 H5 114.474 F4 C2 H6 112.709

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