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Geometry for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane) 1Ag C2H

1910171554
InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8 INChIKey=DDMOUSALMHHKOS-UHFFFAOYSA-N

MP2=FULL/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2423 0.7299 0.0000   0.6065 -0.4730 0.0000
C2 0.2423 -0.7299 0.0000   -0.6065 0.4730 0.0000
Cl3 -1.9918 0.8046 0.0000   2.1036 0.4353 0.0000
Cl4 1.9918 -0.8046 0.0000   -2.1036 -0.4353 0.0000
F5 0.2423 1.3463 1.0933   0.5451 -1.2546 1.0933
F6 0.2423 1.3463 -1.0933   0.5451 -1.2546 -1.0933
F7 -0.2423 -1.3463 1.0933   -0.5451 1.2546 1.0933
F8 -0.2423 -1.3463 -1.0933   -0.5451 1.2546 -1.0933
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5382 1.7511 2.7104 1.3454 1.3454 2.3465 2.3465
C2 1.5382 2.7104 1.7511 2.3465 2.3465 1.3454 1.3454
Cl3 1.7511 2.7104 4.2964 2.5456 2.5456 2.9803 2.9803
Cl4 2.7104 1.7511 4.2964 2.9803 2.9803 2.5456 2.5456
F5 1.3454 2.3465 2.5456 2.9803 2.1867 2.7358 3.5023
F6 1.3454 2.3465 2.5456 2.9803 2.1867 3.5023 2.7358
F7 2.3465 1.3454 2.9803 2.5456 2.7358 3.5023 2.1867
F8 2.3465 1.3454 2.9803 2.5456 3.5023 2.7358 2.1867
Maximum atom distance is 4.2964Å between atoms Cl3 and Cl4.
picture of 1,2-Dichloro-1,1,2,2-tetrafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 110.806 C1 C2 F7 108.741
C1 C2 F8 108.741 C2 C1 Cl3 110.806
C2 C1 F5 108.741 C2 C1 F6 108.741
Cl3 C1 F5 109.897 Cl3 C1 F6 109.897
Cl4 C2 F7 109.897 Cl4 C2 F8 109.897
F5 C1 F6 108.712 F7 C2 F8 108.712

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