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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

MP3/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1124 0.7696 0.6662   0.6714 0.0754 0.7696
C2 -0.1124 -0.7696 0.6662   0.6590 -0.1491 -0.7696
C3 -0.1124 -0.7696 -0.6662   -0.6714 -0.0754 -0.7696
C4 0.1124 0.7696 -0.6662   -0.6590 0.1491 0.7696
F5 -0.1124 1.6707 1.6108   1.6021 -0.2014 1.6707
F6 0.1124 -1.6707 1.6108   1.6145 0.0231 -1.6707
F7 0.1124 -1.6707 -1.6108   -1.6021 0.2014 -1.6707
F8 -0.1124 1.6707 -1.6108   -1.6145 -0.0231 1.6707
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5555 2.0482 1.3325 1.3247 2.6167 3.3376 2.4591
C2 1.5555 1.3325 2.0482 2.6167 1.3247 2.4591 3.3376
C3 2.0482 1.3325 1.5555 3.3376 2.4591 1.3247 2.6167
C4 1.3325 2.0482 1.5555 2.4591 3.3376 2.6167 1.3247
F5 1.3247 2.6167 3.3376 2.4591 3.3490 4.6469 3.2215
F6 2.6167 1.3247 2.4591 3.3376 3.3490 3.2215 4.6469
F7 3.3376 2.4591 1.3247 2.6167 4.6469 3.2215 3.3490
F8 2.4591 3.3376 2.6167 1.3247 3.2215 4.6469 3.3490
Maximum atom distance is 4.6469Å 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 130.436
C1 C4 C3 90.000 C1 C4 F8 135.481
C2 C1 C4 90.000 C2 C1 F5 130.436
C2 C3 C4 90.000 C2 C3 F7 135.481
C3 C2 F6 135.481 C3 C4 F8 130.436
C4 C1 F5 135.481 C4 C3 F7 130.436

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