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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

MP2/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2351 0.7346 0.0000   0.5917 -0.4948 0.0000
C2 0.2351 -0.7346 0.0000   -0.5917 0.4948 0.0000
Cl3 -1.9935 0.7934 0.0000   2.1087 0.3964 0.0000
Cl4 1.9935 -0.7934 0.0000   -2.1087 -0.3964 0.0000
F5 0.2351 1.3414 1.0820   0.5192 -1.2590 1.0820
F6 0.2351 1.3414 -1.0820   0.5192 -1.2590 -1.0820
F7 -0.2351 -1.3414 1.0820   -0.5192 1.2590 1.0820
F8 -0.2351 -1.3414 -1.0820   -0.5192 1.2590 -1.0820
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5427 1.7594 2.7022 1.3266 1.3266 2.3410 2.3410
C2 1.5427 2.7022 1.7594 2.3410 2.3410 1.3266 1.3266
Cl3 1.7594 2.7022 4.2912 2.5372 2.5372 2.9699 2.9699
Cl4 2.7022 1.7594 4.2912 2.9699 2.9699 2.5372 2.5372
F5 1.3266 2.3410 2.5372 2.9699 2.1640 2.7236 3.4786
F6 1.3266 2.3410 2.5372 2.9699 2.1640 3.4786 2.7236
F7 2.3410 1.3266 2.9699 2.5372 2.7236 3.4786 2.1640
F8 2.3410 1.3266 2.9699 2.5372 3.4786 2.7236 2.1640
Maximum atom distance is 4.2912Å 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 109.661 C1 C2 F7 109.121
C1 C2 F8 109.121 C2 C1 Cl3 109.661
C2 C1 F5 109.121 C2 C1 F6 109.121
Cl3 C1 F5 109.812 Cl3 C1 F6 109.812
Cl4 C2 F7 109.812 Cl4 C2 F8 109.812
F5 C1 F6 109.295 F7 C2 F8 109.295

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