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Geometry for CHFCHClz ((Z)-1-Chloro-2-fluoroethene) 1A' CS

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

B3LYP/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8883 0.0000   -0.0862 0.8841 0.0000
C2 1.2757 0.4190 0.0000   1.2290 0.5409 0.0000
Cl3 -1.3996 -0.1648 0.0000   -1.3770 -0.2998 0.0000
F4 1.5771 -0.8969 0.0000   1.6567 -0.7396 0.0000
H5 -0.2107 1.9585 0.0000   -0.3998 1.9288 0.0000
H6 2.1563 1.0704 0.0000   2.0422 1.2746 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6
C1 1.3592 1.7516 2.3821 1.0907 2.1640
C2 1.3592 2.7382 1.3500 2.1399 1.0954
Cl3 1.7516 2.7382 3.0654 2.4335 3.7643
F4 2.3821 1.3500 3.0654 3.3688 2.0507
H5 1.0907 2.1399 2.4335 3.3688 2.5281
H6 2.1640 1.0954 3.7643 2.0507 2.5281
Maximum atom distance is 3.7643Å between atoms Cl3 and H6.
picture of (Z)-1-Chloro-2-fluoroethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 123.101 C2 C1 Cl3 122.844
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 123.315 C2 C1 H5 121.335
Cl3 C1 H5 115.821 F4 C2 H6 113.584

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