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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

HF/Def2TZVPP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1254 0.7543 0.6504   0.6535 0.1080 0.7543
C2 -0.1254 -0.7543 0.6504   0.6469 -0.1426 -0.7543
C3 -0.1254 -0.7543 -0.6504   -0.6535 -0.1080 -0.7543
C4 0.1254 0.7543 -0.6504   -0.6469 0.1426 0.7543
F5 -0.1254 1.6486 1.5551   1.5512 -0.1667 1.6486
F6 0.1254 -1.6486 1.5551   1.5579 0.0839 -1.6486
F7 0.1254 -1.6486 -1.5551   -1.5512 0.1667 -1.6486
F8 -0.1254 1.6486 -1.5551   -1.5579 -0.0839 1.6486
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5293 2.0077 1.3009 1.2966 2.5676 3.2617 2.3932
C2 1.5293 1.3009 2.0077 2.5676 1.2966 2.3932 3.2617
C3 2.0077 1.3009 1.5293 3.2617 2.3932 1.2966 2.5676
C4 1.3009 2.0077 1.5293 2.3932 3.2617 2.5676 1.2966
F5 1.2966 2.5676 3.2617 2.3932 3.3068 4.5397 3.1102
F6 2.5676 1.2966 2.3932 3.2617 3.3068 3.1102 4.5397
F7 3.2617 2.3932 1.2966 2.5676 4.5397 3.1102 3.3068
F8 2.3932 3.2617 2.5676 1.2966 3.1102 4.5397 3.3068
Maximum atom distance is 4.5397Å 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 130.446
C1 C4 C3 90.000 C1 C4 F8 134.246
C2 C1 C4 90.000 C2 C1 F5 130.446
C2 C3 C4 90.000 C2 C3 F7 134.246
C3 C2 F6 134.246 C3 C4 F8 130.446
C4 C1 F5 134.246 C4 C3 F7 130.446

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