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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/LANL2DZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2489 0.7399 0.0000   0.6124 -0.4840 0.0000
C2 0.2489 -0.7399 0.0000   -0.6124 0.4840 0.0000
Cl3 -2.0783 0.8476 0.0000   2.2040 0.4242 0.0000
Cl4 2.0783 -0.8476 0.0000   -2.2040 -0.4242 0.0000
F5 0.2489 1.3916 1.1272   0.5511 -1.3019 1.1272
F6 0.2489 1.3916 -1.1272   0.5511 -1.3019 -1.1272
F7 -0.2489 -1.3916 1.1272   -0.5511 1.3019 1.1272
F8 -0.2489 -1.3916 -1.1272   -0.5511 1.3019 -1.1272
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 F5 F6 F7 F8
C1 1.5612 1.8325 2.8171 1.3940 1.3940 2.4112 2.4112
C2 1.5612 2.8171 1.8325 2.4112 2.4112 1.3940 1.3940
Cl3 1.8325 2.8171 4.4890 2.6424 2.6424 3.1034 3.1034
Cl4 2.8171 1.8325 4.4890 3.1034 3.1034 2.6424 2.6424
F5 1.3940 2.4112 2.6424 3.1034 2.2545 2.8274 3.6162
F6 1.3940 2.4112 2.6424 3.1034 2.2545 3.6162 2.8274
F7 2.4112 1.3940 3.1034 2.6424 2.8274 3.6162 2.2545
F8 2.4112 1.3940 3.1034 2.6424 3.6162 2.8274 2.2545
Maximum atom distance is 4.4890Å 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 111.967 C1 C2 F7 109.223
C1 C2 F8 109.223 C2 C1 Cl3 111.967
C2 C1 F5 109.223 C2 C1 F6 109.223
Cl3 C1 F5 109.209 Cl3 C1 F6 109.209
Cl4 C2 F7 109.209 Cl4 C2 F8 109.209
F5 C1 F6 107.925 F7 C2 F8 107.925

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