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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

HSEh1PBE/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2362 0.7376 0.0000   0.5968 -0.4936 0.0000
C2 0.2362 -0.7376 0.0000   -0.5968 0.4936 0.0000
Cl3 -2.0034 0.8172 0.0000   2.1277 0.3929 0.0000
Cl4 2.0034 -0.8172 0.0000   -2.1277 -0.3929 0.0000
F5 0.2362 1.3480 1.0857   0.5284 -1.2624 1.0857
F6 0.2362 1.3480 -1.0857   0.5284 -1.2624 -1.0857
F7 -0.2362 -1.3480 1.0857   -0.5284 1.2624 1.0857
F8 -0.2362 -1.3480 -1.0857   -0.5284 1.2624 -1.0857
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5489 1.7690 2.7263 1.3321 1.3321 2.3513 2.3513
C2 1.5489 2.7263 1.7690 2.3513 2.3513 1.3321 1.3321
Cl3 1.7690 2.7263 4.3273 2.5449 2.5449 2.9983 2.9983
Cl4 2.7263 1.7690 4.3273 2.9983 2.9983 2.5449 2.5449
F5 1.3321 2.3513 2.5449 2.9983 2.1715 2.7371 3.4938
F6 1.3321 2.3513 2.5449 2.9983 2.1715 3.4938 2.7371
F7 2.3513 1.3321 2.9983 2.5449 2.7371 3.4938 2.1715
F8 2.3513 1.3321 2.9983 2.5449 3.4938 2.7371 2.1715
Maximum atom distance is 4.3273Å 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 110.334 C1 C2 F7 109.165
C1 C2 F8 109.165 C2 C1 Cl3 110.334
C2 C1 F5 109.165 C2 C1 F6 109.165
Cl3 C1 F5 109.488 Cl3 C1 F6 109.488
Cl4 C2 F7 109.488 Cl4 C2 F8 109.488
F5 C1 F6 109.182 F7 C2 F8 109.182

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