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Geometry for C2ClF3 (Ethene, chlorotrifluoro-) 1A' CS

1910171554
InChI=1S/C2ClF3/c3-1(4)2(5)6 INChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N

HF/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7432 -0.5825 0.0000   -0.9235 -0.1971 0.0000
C2 0.0000 0.4780 0.0000   0.2099 0.4295 0.0000
F3 -2.0714 -0.5601 0.0000   -2.1070 0.4062 0.0000
F4 -0.2623 -1.8179 0.0000   -1.0338 -1.5182 0.0000
F5 -0.5182 1.7157 0.0000   0.2876 1.7690 0.0000
Cl6 1.7722 0.3875 0.0000   1.7624 -0.4299 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.2950 1.3284 1.3257 2.3092 2.6959
C2 1.2950 2.3170 2.3108 1.3418 1.7745
F3 1.3284 2.3170 2.2034 2.7553 3.9586
F4 1.3257 2.3108 2.2034 3.5428 3.0004
F5 2.3092 1.3418 2.7553 3.5428 2.6476
Cl6 2.6959 1.7745 3.9586 3.0004 2.6476
Maximum atom distance is 3.9586Å between atoms F3 and Cl6.
picture of Ethene, chlorotrifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 122.258 C1 C2 Cl6 122.099
C2 C1 F3 124.057 C2 C1 F4 123.708
F3 C1 F4 112.235 F5 C2 Cl6 115.643

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