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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

QCISD/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6640 0.4739   0.4739 0.0000 0.6640
C2 0.0000 -0.6640 0.4739   0.4739 0.0000 -0.6640
F3 0.0000 1.3869 1.6359   1.6359 0.0000 1.3869
F4 0.0000 -1.3869 1.6359   1.6359 0.0000 -1.3869
Cl5 0.0000 1.6782 -1.0333   -1.0333 0.0000 1.6782
Cl6 0.0000 -1.6782 -1.0333   -1.0333 0.0000 -1.6782
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3280 1.3685 2.3572 1.8167 2.7852
C2 1.3280 2.3572 1.3685 2.7852 1.8167
F3 1.3685 2.3572 2.7737 2.6851 4.0644
F4 2.3572 1.3685 2.7737 4.0644 2.6851
Cl5 1.8167 2.7852 2.6851 4.0644 3.3564
Cl6 2.7852 1.8167 4.0644 2.6851 3.3564
Maximum atom distance is 4.0644Å 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 121.885 C1 C2 Cl6 123.937
C2 C1 F3 121.885 C2 C1 Cl5 123.937
F3 C1 Cl5 114.177 F4 C2 Cl6 114.177

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