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Geometry for (difluorodichloroethylene) 1A1 C2V

1910171554
InChI=1S/C2Cl2F2/c3-1(4)2(5)6 INChIKey=QDGONURINHVBEW-UHFFFAOYSA-N

CCSD(T)/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.0972   1.0972 0.0000 0.0000
C2 0.0000 0.0000 -0.2378   -0.2378 0.0000 0.0000
F3 0.0000 1.0864 1.8326   1.8326 1.0864 0.0000
F4 0.0000 -1.0864 1.8326   1.8326 -1.0864 0.0000
Cl5 0.0000 1.4771 -1.1219   -1.1219 1.4771 0.0000
Cl6 0.0000 -1.4771 -1.1219   -1.1219 -1.4771 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3350 1.3119 1.3119 2.6657 2.6657
C2 1.3350 2.3381 2.3381 1.7215 1.7215
F3 1.3119 2.3381 2.1727 2.9802 3.9116
F4 1.3119 2.3381 2.1727 3.9116 2.9802
Cl5 2.6657 1.7215 2.9802 3.9116 2.9542
Cl6 2.6657 1.7215 3.9116 2.9802 2.9542
Maximum atom distance is 3.9116Å between atoms F3 and Cl6.
picture of difluorodichloroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl5 120.902 C1 C2 Cl6 120.902
C2 C1 F3 124.097 C2 C1 F4 124.097
F3 C1 F4 111.807 Cl5 C2 Cl6 118.197

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