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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

MP2/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6704 -0.6801 0.0000   -0.9354 -0.1923 0.0000
C2 0.0000 0.4721 0.0000   0.2626 0.3923 0.0000
F3 -1.9947 -0.7474 0.0000   -2.0733 0.4886 0.0000
F4 -0.0880 -1.8705 0.0000   -1.1137 -1.5053 0.0000
F5 -0.6766 1.6324 0.0000   0.3459 1.7329 0.0000
Cl6 1.6974 0.5951 0.0000   1.7416 -0.4497 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3330 1.3260 1.3251 2.3126 2.6894
C2 1.3330 2.3379 2.3442 1.3433 1.7019
F3 1.3260 2.3379 2.2128 2.7205 3.9286
F4 1.3251 2.3442 2.2128 3.5520 3.0442
F5 2.3126 1.3433 2.7205 3.5520 2.5908
Cl6 2.6894 1.7019 3.9286 3.0442 2.5908
Maximum atom distance is 3.9286Å 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 119.563 C1 C2 Cl6 124.338
C2 C1 F3 123.099 C2 C1 F4 123.741
F3 C1 F4 113.160 F5 C2 Cl6 116.099

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