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Geometry for CF3CF2Cl (pentafluorochloroethane) 1A' CS

1910171554
InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8 INChIKey=RFCAUADVODFSLZ-UHFFFAOYSA-N

QCISD/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0898 -0.6348 0.0000   -0.4466 0.4599 0.0000
C2 -0.6238 0.7356 0.0000   0.9375 -0.2267 0.0000
Cl3 1.8373 -0.4440 0.0000   -1.7460 -0.7239 0.0000
F4 -0.2949 -1.3101 1.0807   -0.5338 1.2322 1.0807
F5 -0.2949 -1.3101 -1.0807   -0.5338 1.2322 -1.0807
F6 -1.9349 0.5381 0.0000   1.8803 0.7055 0.0000
F7 -0.2949 1.4269 1.0793   1.0791 -0.9790 1.0793
F8 -0.2949 1.4269 -1.0793   1.0791 -0.9790 -1.0793
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 F6 F7 F8
C1 1.5451 1.7578 1.3312 1.3312 2.3399 2.3587 2.3587
C2 1.5451 2.7292 2.3370 2.3370 1.3259 1.3232 1.3232
Cl3 1.7578 2.7292 2.5424 2.5424 3.8979 3.0350 3.0350
F4 1.3312 2.3370 2.5424 2.1614 2.6970 2.7370 3.4867
F5 1.3312 2.3370 2.5424 2.1614 2.6970 3.4867 2.7370
F6 2.3399 1.3259 3.8979 2.6970 2.6970 2.1551 2.1551
F7 2.3587 1.3232 3.0350 2.7370 3.4867 2.1551 2.1587
F8 2.3587 1.3232 3.0350 3.4867 2.7370 2.1551 2.1587
Maximum atom distance is 3.8979Å between atoms Cl3 and F6.
picture of pentafluorochloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 108.938 C1 C2 F7 110.395
C1 C2 F8 110.395 C2 C1 Cl3 111.278
C2 C1 F4 108.453 C2 C1 F5 108.453
Cl3 C1 F4 110.017 Cl3 C1 F5 110.017
F4 C1 F5 108.555 F6 C2 F7 108.886
F6 C2 F8 108.886 F7 C2 F8 109.308

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