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Geometry for C2Br4 (tetrabromoethene) 1AG D2H

1910171554
InChI=1S/C2Br4/c3-1(4)2(5)6 INChIKey=OVRRJBSHBOXFQE-UHFFFAOYSA-N

MP2=FULL/6-31G**


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6750   0.6750 0.0000 0.0000
C2 0.0000 0.0000 -0.6750   -0.6750 0.0000 0.0000
Br3 0.0000 1.5854 1.6824   1.6824 1.5854 0.0000
Br4 0.0000 -1.5854 1.6824   1.6824 -1.5854 0.0000
Br5 0.0000 -1.5854 -1.6824   -1.6824 -1.5854 0.0000
Br6 0.0000 1.5854 -1.6824   -1.6824 1.5854 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 Br5 Br6
C1 1.3500 1.8783 1.8783 2.8409 2.8409
C2 1.3500 2.8409 2.8409 1.8783 1.8783
Br3 1.8783 2.8409 3.1707 4.6233 3.3647
Br4 1.8783 2.8409 3.1707 3.3647 4.6233
Br5 2.8409 1.8783 4.6233 3.3647 3.1707
Br6 2.8409 1.8783 3.3647 4.6233 3.1707
Maximum atom distance is 4.6233Å between atoms Br3 and Br5.
picture of tetrabromoethene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br5 122.433 C1 C2 Br6 122.433
C2 C1 Br3 122.433 C2 C1 Br4 122.433
Br3 C1 Br4 115.133 Br5 C2 Br6 115.133

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