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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

CCSD(T)/TZVP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1519 0.7532 0.6746   0.6815 0.1171 0.7532
C2 -0.1519 -0.7532 0.6746   0.6659 -0.1863 -0.7532
C3 -0.1519 -0.7532 -0.6746   -0.6815 -0.1171 -0.7532
C4 0.1519 0.7532 -0.6746   -0.6659 0.1863 0.7532
F5 -0.1519 1.6753 1.5715   1.5616 -0.2323 1.6753
F6 0.1519 -1.6753 1.5715   1.5772 0.0711 -1.6753
F7 0.1519 -1.6753 -1.5715   -1.5616 0.2323 -1.6753
F8 -0.1519 1.6753 -1.5715   -1.5772 -0.0711 1.6753
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5367 2.0449 1.3491 1.3218 2.5888 3.3079 2.4469
C2 1.5367 1.3491 2.0449 2.5888 1.3218 2.4469 3.3079
C3 2.0449 1.3491 1.5367 3.3079 2.4469 1.3218 2.5888
C4 1.3491 2.0449 1.5367 2.4469 3.3079 2.5888 1.3218
F5 1.3218 2.5888 3.3079 2.4469 3.3644 4.6040 3.1430
F6 2.5888 1.3218 2.4469 3.3079 3.3644 3.1430 4.6040
F7 3.3079 2.4469 1.3218 2.5888 4.6040 3.1430 3.3644
F8 2.4469 3.3079 2.5888 1.3218 3.1430 4.6040 3.3644
Maximum atom distance is 4.6040Å 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 129.674
C1 C4 C3 90.000 C1 C4 F8 132.731
C2 C1 C4 90.000 C2 C1 F5 129.674
C2 C3 C4 90.000 C2 C3 F7 132.731
C3 C2 F6 132.731 C3 C4 F8 129.674
C4 C1 F5 132.731 C4 C3 F7 129.674

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