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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

CID/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0002 0.8049 0.6588   0.6588 -0.0005 0.8049
C2 0.0002 -0.8049 0.6588   0.6588 0.0000 -0.8049
C3 0.0002 -0.8049 -0.6588   -0.6588 0.0005 -0.8049
C4 -0.0002 0.8049 -0.6588   -0.6588 -0.0000 0.8049
F5 0.0002 1.6905 1.6609   1.6609 -0.0003 1.6905
F6 -0.0002 -1.6905 1.6609   1.6609 -0.0008 -1.6905
F7 -0.0002 -1.6905 -1.6609   -1.6609 0.0003 -1.6905
F8 0.0002 1.6905 -1.6609   -1.6609 0.0008 1.6905
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.6097 2.0802 1.3175 1.3374 2.6891 3.4070 2.4829
C2 1.6097 1.3175 2.0802 2.6891 1.3374 2.4829 3.4070
C3 2.0802 1.3175 1.6097 3.4070 2.4829 1.3374 2.6891
C4 1.3175 2.0802 1.6097 2.4829 3.4070 2.6891 1.3374
F5 1.3374 2.6891 3.4070 2.4829 3.3810 4.7397 3.3217
F6 2.6891 1.3374 2.4829 3.4070 3.3810 3.3217 4.7397
F7 3.4070 2.4829 1.3374 2.6891 4.7397 3.3217 3.3810
F8 2.4829 3.4070 2.6891 1.3374 3.3217 4.7397 3.3810
Maximum atom distance is 4.7397Å 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 131.470
C1 C4 C3 90.000 C1 C4 F8 138.530
C2 C1 C4 90.000 C2 C1 F5 131.470
C2 C3 C4 90.000 C2 C3 F7 138.530
C3 C2 F6 138.530 C3 C4 F8 131.470
C4 C1 F5 138.530 C4 C3 F7 131.470

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