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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/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1584 0.7448 0.6750   0.6822 0.1239 0.7448
C2 -0.1584 -0.7448 0.6750   0.6661 -0.1925 -0.7448
C3 -0.1584 -0.7448 -0.6750   -0.6822 -0.1239 -0.7448
C4 0.1584 0.7448 -0.6750   -0.6661 0.1925 0.7448
F5 -0.1584 1.6783 1.5716   1.5615 -0.2380 1.6783
F6 0.1584 -1.6783 1.5716   1.5776 0.0784 -1.6783
F7 0.1584 -1.6783 -1.5716   -1.5615 0.2380 -1.6783
F8 -0.1584 1.6783 -1.5716   -1.5776 -0.0784 1.6783
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5228 2.0351 1.3500 1.3326 2.5836 3.3043 2.4534
C2 1.5228 1.3500 2.0351 2.5836 1.3326 2.4534 3.3043
C3 2.0351 1.3500 1.5228 3.3043 2.4534 1.3326 2.5836
C4 1.3500 2.0351 1.5228 2.4534 3.3043 2.5836 1.3326
F5 1.3326 2.5836 3.3043 2.4534 3.3715 4.6094 3.1432
F6 2.5836 1.3326 2.4534 3.3043 3.3715 3.1432 4.6094
F7 3.3043 2.4534 1.3326 2.5836 4.6094 3.1432 3.3715
F8 2.4534 3.3043 2.5836 1.3326 3.1432 4.6094 3.3715
Maximum atom distance is 4.6094Å 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 129.478
C1 C4 C3 90.000 C1 C4 F8 132.287
C2 C1 C4 90.000 C2 C1 F5 129.478
C2 C3 C4 90.000 C2 C3 F7 132.287
C3 C2 F6 132.287 C3 C4 F8 129.478
C4 C1 F5 132.287 C4 C3 F7 129.478

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