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Geometry for C4F2 (difluorobutadiyne) 1ΣG D*H

1910171554
InChI=1S/C4F2/c5-3-1-2-4-6 INChIKey=XOQUBARPWKCNSI-UHFFFAOYSA-N

HF/CEP-121G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6996
C2 0.0000 0.0000 -0.6996
C3 0.0000 0.0000 1.8804
C4 0.0000 0.0000 -1.8804
F5 0.0000 0.0000 3.1524
F6 0.0000 0.0000 -3.1524
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6
C1 1.3992 1.1807 2.5800 2.4528 3.8520
C2 1.3992 2.5800 1.1807 3.8520 2.4528
C3 1.1807 2.5800 3.7607 1.2720 5.0328
C4 2.5800 1.1807 3.7607 5.0328 1.2720
F5 2.4528 3.8520 1.2720 5.0328 6.3048
F6 3.8520 2.4528 5.0328 1.2720 6.3048
Maximum atom distance is 6.3048Å between atoms F5 and F6.
picture of difluorobutadiyne
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 180.000 C1 C3 F5 180.000
C2 C1 C3 180.000 C2 C4 F6 180.000

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