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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

MP2/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4901 0.0000   -0.0292 -0.4893 0.0000
C2 1.0217 -0.3815 0.0000   -0.9971 0.4418 0.0000
Cl3 -1.6435 -0.0866 0.0000   1.6458 -0.0116 0.0000
F4 2.3028 0.0799 0.0000   -2.3035 0.0576 0.0000
H5 0.1339 1.5660 0.0000   -0.2270 -1.5552 0.0000
H6 0.9504 -1.4644 0.0000   -0.8614 1.5184 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3430 1.7418 2.3391 1.0841 2.1733
C2 1.3430 2.6815 1.3617 2.1403 1.0852
Cl3 1.7418 2.6815 3.9499 2.4269 2.9371
F4 2.3391 1.3617 3.9499 2.6293 2.0527
H5 1.0841 2.1403 2.4269 2.6293 3.1384
H6 2.1733 1.0852 2.9371 2.0527 3.1384
Maximum atom distance is 3.9499Å 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 119.724 C2 C1 Cl3 120.195
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 126.700 C2 C1 H5 123.377
Cl3 C1 H5 116.428 F4 C2 H6 113.576

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