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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

LSDA/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4742 0.0000   0.0020 0.4741 0.0000
C2 1.0089 -0.3787 0.0000   1.0073 -0.3829 0.0000
Cl3 -1.6171 -0.0701 0.0000   -1.6173 -0.0634 0.0000
F4 2.2642 0.0591 0.0000   2.2644 0.0498 0.0000
H5 0.1440 1.5547 0.0000   0.1505 1.5541 0.0000
H6 0.9151 -1.4673 0.0000   0.9091 -1.4711 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3210 1.7062 2.3019 1.0901 2.1463
C2 1.3210 2.6440 1.3295 2.1180 1.0926
Cl3 1.7062 2.6440 3.8834 2.3962 2.8921
F4 2.3019 1.3295 3.8834 2.5946 2.0371
H5 1.0901 2.1180 2.3962 2.5946 3.1189
H6 2.1463 1.0926 2.8921 2.0371 3.1189
Maximum atom distance is 3.8834Å 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 120.563 C2 C1 Cl3 121.187
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 125.290 C2 C1 H5 122.617
Cl3 C1 H5 116.196 F4 C2 H6 114.147

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