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Geometry for CFClCFCl (cis-1,2-dichloro-1,2-difluoroethylene) 1A1 C2V

1910171554
InChI=1S/C2Cl2F2/c3-1(5)2(4)6/b2-1- INChIKey=UPVJEODAZWTJKZ-UPHRSURJSA-N

PBE1PBE/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6670 0.4118   0.4118 0.0000 0.6670
C2 0.0000 -0.6670 0.4118   0.4118 0.0000 -0.6670
F3 0.0000 1.3224 1.5634   1.5634 0.0000 1.3224
F4 0.0000 -1.3224 1.5634   1.5634 0.0000 -1.3224
Cl5 0.0000 1.6586 -0.9730   -0.9730 0.0000 1.6586
Cl6 0.0000 -1.6586 -0.9730   -0.9730 0.0000 -1.6586
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3339 1.3250 2.2987 1.7033 2.7067
C2 1.3339 2.2987 1.3250 2.7067 1.7033
F3 1.3250 2.2987 2.6449 2.5586 3.9141
F4 2.2987 1.3250 2.6449 3.9141 2.5586
Cl5 1.7033 2.7067 2.5586 3.9141 3.3172
Cl6 2.7067 1.7033 3.9141 2.5586 3.3172
Maximum atom distance is 3.9141Å between atoms F3 and Cl6.
picture of cis-1,2-dichloro-1,2-difluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 119.649 C1 C2 Cl6 125.605
C2 C1 F3 119.649 C2 C1 Cl5 125.605
F3 C1 Cl5 114.746 F4 C2 Cl6 114.746

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