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Geometry for CH2BrCH2Br (Ethane, 1,2-dibromo-) 1Ag C2H

1910171554
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 INChIKey=PAAZPARNPHGIKF-UHFFFAOYSA-N

BLYP/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5081 0.5648 0.0000   0.6554 0.3842 0.0000
C2 -0.5081 -0.5648 0.0000   -0.6554 -0.3842 0.0000
Br3 -0.5081 2.3302 0.0000   2.1806 -0.9660 0.0000
Br4 0.5081 -2.3302 0.0000   -2.1806 0.9660 0.0000
H5 1.1275 0.5696 0.9025   0.7846 0.9901 0.9025
H6 1.1275 0.5696 -0.9025   0.7846 0.9901 -0.9025
H7 -1.1275 -0.5696 0.9025   -0.7846 -0.9901 0.9025
H8 -1.1275 -0.5696 -0.9025   -0.7846 -0.9901 -0.9025
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5195 2.0370 2.8951 1.0946 1.0946 2.1856 2.1856
C2 1.5195 2.8951 2.0370 2.1856 2.1856 1.0946 1.0946
Br3 2.0370 2.8951 4.7700 2.5670 2.5670 3.0996 3.0996
Br4 2.8951 2.0370 4.7700 3.0996 3.0996 2.5670 2.5670
H5 1.0946 2.1856 2.5670 3.0996 1.8049 2.5265 3.1050
H6 1.0946 2.1856 2.5670 3.0996 1.8049 3.1050 2.5265
H7 2.1856 1.0946 3.0996 2.5670 2.5265 3.1050 1.8049
H8 2.1856 1.0946 3.0996 2.5670 3.1050 2.5265 1.8049
Maximum atom distance is 4.7700Å between atoms Br3 and Br4.
picture of Ethane, 1,2-dibromo-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br4 108.100 C2 C1 Br3 108.100
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.439 C1 C2 H8 112.439
C2 C1 H5 112.439 C2 C1 H6 112.439
Br3 C1 H5 106.173 Br3 C1 H6 106.173
Br4 C2 H7 106.173 Br4 C2 H8 106.173
H5 C1 H6 111.071 H7 C2 H8 111.071

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