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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

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0963 -0.6320 0.0000   -0.4586 0.4453 0.0000
C2 -0.6371 0.7371 0.0000   0.9531 -0.2022 0.0000
Cl3 1.8874 -0.4588 0.0000   -1.7810 -0.7751 0.0000
F4 -0.3053 -1.3314 1.1066   -0.5614 1.2453 1.1066
F5 -0.3053 -1.3314 -1.1066   -0.5614 1.2453 -1.1066
F6 -1.9832 0.5460 0.0000   1.9100 0.7635 0.0000
F7 -0.3053 1.4567 1.1039   1.1236 -0.9761 1.1039
F8 -0.3053 1.4567 -1.1039   1.1236 -0.9761 -1.1039
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 F6 F7 F8
C1 1.5531 1.7995 1.3694 1.3694 2.3899 2.3963 2.3963
C2 1.5531 2.7934 2.3693 2.3693 1.3596 1.3589 1.3589
Cl3 1.7995 2.7934 2.6066 2.6066 3.9989 3.1138 3.1138
F4 1.3694 2.3693 2.6066 2.2132 2.7504 2.7881 3.5581
F5 1.3694 2.3693 2.6066 2.2132 2.7504 3.5581 2.7881
F6 2.3899 1.3596 3.9989 2.7504 2.7504 2.2053 2.2053
F7 2.3963 1.3589 3.1138 2.7881 3.5581 2.2053 2.2078
F8 2.3963 1.3589 3.1138 3.5581 2.7881 2.2053 2.2078
Maximum atom distance is 3.9989Å 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 110.098 C1 C2 F7 110.579
C1 C2 F8 110.579 C2 C1 Cl3 112.655
C2 C1 F4 108.166 C2 C1 F5 108.166
Cl3 C1 F4 109.942 Cl3 C1 F5 109.942
F4 C1 F5 107.827 F6 C2 F7 108.433
F6 C2 F8 108.433 F7 C2 F8 108.654

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