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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

PBEPBEultrafine/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1351 0.7656 0.6735   0.6796 0.1004 0.7656
C2 -0.1351 -0.7656 0.6735   0.6657 -0.1695 -0.7656
C3 -0.1351 -0.7656 -0.6735   -0.6796 -0.1004 -0.7656
C4 0.1351 0.7656 -0.6735   -0.6657 0.1695 0.7656
F5 -0.1351 1.6811 1.6023   1.5933 -0.2171 1.6811
F6 0.1351 -1.6811 1.6023   1.6071 0.0527 -1.6811
F7 0.1351 -1.6811 -1.6023   -1.5933 0.2171 -1.6811
F8 -0.1351 1.6811 -1.6023   -1.6071 -0.0527 1.6811
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5548 2.0572 1.3471 1.3319 2.6171 3.3415 2.4679
C2 1.5548 1.3471 2.0572 2.6171 1.3319 2.4679 3.3415
C3 2.0572 1.3471 1.5548 3.3415 2.4679 1.3319 2.6171
C4 1.3471 2.0572 1.5548 2.4679 3.3415 2.6171 1.3319
F5 1.3319 2.6171 3.3415 2.4679 3.3731 4.6527 3.2046
F6 2.6171 1.3319 2.4679 3.3415 3.3731 3.2046 4.6527
F7 3.3415 2.4679 1.3319 2.6171 4.6527 3.2046 3.3731
F8 2.4679 3.3415 2.6171 1.3319 3.2046 4.6527 3.3731
Maximum atom distance is 4.6527Å 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 129.920
C1 C4 C3 90.000 C1 C4 F8 134.215
C2 C1 C4 90.000 C2 C1 F5 129.920
C2 C3 C4 90.000 C2 C3 F7 134.215
C3 C2 F6 134.215 C3 C4 F8 129.920
C4 C1 F5 134.215 C4 C3 F7 129.920

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