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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

B97D3/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6848 -0.6775 0.0000   -0.9451 -0.1866 0.0000
C2 0.0000 0.4762 0.0000   0.2630 0.3969 0.0000
F3 -2.0163 -0.7386 0.0000   -2.0887 0.4980 0.0000
F4 -0.1184 -1.8820 0.0000   -1.1382 -1.5034 0.0000
F5 -0.6519 1.6552 0.0000   0.3708 1.7398 0.0000
Cl6 1.7169 0.5822 0.0000   1.7528 -0.4630 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3416 1.3329 1.3310 2.3329 2.7120
C2 1.3416 2.3539 2.3611 1.3472 1.7202
F3 1.3329 2.3539 2.2157 2.7553 3.9599
F4 1.3310 2.3611 2.2157 3.5771 3.0725
F5 2.3329 1.3472 2.7553 3.5771 2.6004
Cl6 2.7120 1.7202 3.9599 3.0725 2.6004
Maximum atom distance is 3.9599Å 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 120.371 C1 C2 Cl6 124.224
C2 C1 F3 123.317 C2 C1 F4 124.124
F3 C1 F4 112.560 F5 C2 Cl6 115.404

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