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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

B3LYP/CEP-121G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2541 0.7446 0.0000   0.6201 -0.4842 0.0000
C2 0.2541 -0.7446 0.0000   -0.6201 0.4842 0.0000
Cl3 -2.0884 0.8577 0.0000   2.2173 0.4250 0.0000
Cl4 2.0884 -0.8577 0.0000   -2.2173 -0.4250 0.0000
F5 0.2541 1.3984 1.1317   0.5526 -1.3095 1.1317
F6 0.2541 1.3984 -1.1317   0.5526 -1.3095 -1.1317
F7 -0.2541 -1.3984 1.1317   -0.5526 1.3095 1.1317
F8 -0.2541 -1.3984 -1.1317   -0.5526 1.3095 -1.1317
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5736 1.8378 2.8381 1.4023 1.4023 2.4235 2.4235
C2 1.5736 2.8381 1.8378 2.4235 2.4235 1.4023 1.4023
Cl3 1.8378 2.8381 4.5154 2.6572 2.6572 3.1202 3.1202
Cl4 2.8381 1.8378 4.5154 3.1202 3.1202 2.6572 2.6572
F5 1.4023 2.4235 2.6572 3.1202 2.2635 2.8426 3.6337
F6 1.4023 2.4235 2.6572 3.1202 2.2635 3.6337 2.8426
F7 2.4235 1.4023 3.1202 2.6572 2.8426 3.6337 2.2635
F8 2.4235 1.4023 3.1202 2.6572 3.6337 2.8426 2.2635
Maximum atom distance is 4.5154Å 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 112.366 C1 C2 F7 108.920
C1 C2 F8 108.920 C2 C1 Cl3 112.366
C2 C1 F5 108.920 C2 C1 F6 108.920
Cl3 C1 F5 109.450 Cl3 C1 F6 109.450
Cl4 C2 F7 109.450 Cl4 C2 F8 109.450
F5 C1 F6 107.617 F7 C2 F8 107.617

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