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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

CCD/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2388 0.7385 0.0000   0.6011 -0.4910 0.0000
C2 0.2388 -0.7385 0.0000   -0.6011 0.4910 0.0000
Cl3 -2.0076 0.8183 0.0000   2.1306 0.4009 0.0000
Cl4 2.0076 -0.8183 0.0000   -2.1306 -0.4009 0.0000
F5 0.2388 1.3522 1.0868   0.5325 -1.2657 1.0868
F6 0.2388 1.3522 -1.0868   0.5325 -1.2657 -1.0868
F7 -0.2388 -1.3522 1.0868   -0.5325 1.2657 1.0868
F8 -0.2388 -1.3522 -1.0868   -0.5325 1.2657 -1.0868
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5522 1.7705 2.7331 1.3364 1.3364 2.3563 2.3563
C2 1.5522 2.7331 1.7705 2.3563 2.3563 1.3364 1.3364
Cl3 1.7705 2.7331 4.3359 2.5519 2.5519 3.0035 3.0035
Cl4 2.7331 1.7705 4.3359 3.0035 3.0035 2.5519 2.5519
F5 1.3364 2.3563 2.5519 3.0035 2.1736 2.7463 3.5023
F6 1.3364 2.3563 2.5519 3.0035 2.1736 3.5023 2.7463
F7 2.3563 1.3364 3.0035 2.5519 2.7463 3.5023 2.1736
F8 2.3563 1.3364 3.0035 2.5519 3.5023 2.7463 2.1736
Maximum atom distance is 4.3359Å 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 110.507 C1 C2 F7 109.086
C1 C2 F8 109.086 C2 C1 Cl3 110.507
C2 C1 F5 109.086 C2 C1 F6 109.086
Cl3 C1 F5 109.654 Cl3 C1 F6 109.654
Cl4 C2 F7 109.654 Cl4 C2 F8 109.654
F5 C1 F6 108.825 F7 C2 F8 108.825

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