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Geometry for C4F4 (tetrafluorcyclobutadiene) 1AG C2H

1910171554
InChI=1S/C4F4/c5-1-2(6)4(8)3(1)7 INChIKey=CZCWNUQRLNESIL-UHFFFAOYSA-N

MP2=FULL/STO-3G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0002 0.8087 0.6862   0.6859 -0.0216 0.8087
C2 0.0002 -0.8087 0.6862   0.6859 -0.0212 -0.8087
C3 0.0002 -0.8087 -0.6862   -0.6859 0.0216 -0.8087
C4 -0.0002 0.8087 -0.6862   -0.6859 0.0212 0.8087
F5 0.0002 1.7202 1.6869   1.6860 -0.0525 1.7202
F6 -0.0002 -1.7202 1.6869   1.6860 -0.0529 -1.7202
F7 -0.0002 -1.7202 -1.6869   -1.6860 0.0525 -1.7202
F8 0.0002 1.7202 -1.6869   -1.6860 0.0529 1.7202
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.6173 2.1212 1.3724 1.3536 2.7196 3.4679 2.5421
C2 1.6173 1.3724 2.1212 2.7196 1.3536 2.5421 3.4679
C3 2.1212 1.3724 1.6173 3.4679 2.5421 1.3536 2.7196
C4 1.3724 2.1212 1.6173 2.5421 3.4679 2.7196 1.3536
F5 1.3536 2.7196 3.4679 2.5421 3.4404 4.8185 3.3737
F6 2.7196 1.3536 2.5421 3.4679 3.4404 3.3737 4.8185
F7 3.4679 2.5421 1.3536 2.7196 4.8185 3.3737 3.4404
F8 2.5421 3.4679 2.7196 1.3536 3.3737 4.8185 3.4404
Maximum atom distance is 4.8185Å between atoms F5 and F7.
picture of tetrafluorcyclobutadiene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 90.000 C1 C2 F6 132.332
C1 C4 C3 90.000 C1 C4 F8 137.668
C2 C1 C4 90.000 C2 C1 F5 132.332
C2 C3 C4 90.000 C2 C3 F7 137.668
C3 C2 F6 137.668 C3 C4 F8 132.332
C4 C1 F5 137.668 C4 C3 F7 132.332

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