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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

HSEh1PBE/TZVP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1347 0.7575 0.6636   0.6687 0.1068 0.7575
C2 -0.1347 -0.7575 0.6636   0.6574 -0.1624 -0.7575
C3 -0.1347 -0.7575 -0.6636   -0.6687 -0.1068 -0.7575
C4 0.1347 0.7575 -0.6636   -0.6574 0.1624 0.7575
F5 -0.1347 1.6592 1.5763   1.5693 -0.2007 1.6592
F6 0.1347 -1.6592 1.5763   1.5806 0.0685 -1.6592
F7 0.1347 -1.6592 -1.5763   -1.5693 0.2007 -1.6592
F8 -0.1347 1.6592 -1.5763   -1.5806 -0.0685 1.6592
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5388 2.0321 1.3272 1.3110 2.5833 3.2951 2.4296
C2 1.5388 1.3272 2.0321 2.5833 1.3110 2.4296 3.2951
C3 2.0321 1.3272 1.5388 3.2951 2.4296 1.3110 2.5833
C4 1.3272 2.0321 1.5388 2.4296 3.2951 2.5833 1.3110
F5 1.3110 2.5833 3.2951 2.4296 3.3293 4.5851 3.1526
F6 2.5833 1.3110 2.4296 3.2951 3.3293 3.1526 4.5851
F7 3.2951 2.4296 1.3110 2.5833 4.5851 3.1526 3.3293
F8 2.4296 3.2951 2.5833 1.3110 3.1526 4.5851 3.3293
Maximum atom distance is 4.5851Å 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 129.880
C1 C4 C3 90.000 C1 C4 F8 134.124
C2 C1 C4 90.000 C2 C1 F5 129.880
C2 C3 C4 90.000 C2 C3 F7 134.124
C3 C2 F6 134.124 C3 C4 F8 129.880
C4 C1 F5 134.124 C4 C3 F7 129.880

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