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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

CID/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4927 0.5713 0.0000   0.6592 0.3668 0.0000
C2 -0.4927 -0.5713 0.0000   -0.6592 -0.3668 0.0000
Br3 -0.4927 2.2630 0.0000   2.1163 -0.9408 0.0000
Br4 0.4927 -2.2630 0.0000   -2.1163 0.9408 0.0000
H5 1.1134 0.5719 0.8882   0.7855 0.9746 0.8882
H6 1.1134 0.5719 -0.8882   0.7855 0.9746 -0.8882
H7 -1.1134 -0.5719 0.8882   -0.7855 -0.9746 0.8882
H8 -1.1134 -0.5719 -0.8882   -0.7855 -0.9746 -0.8882
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5089 1.9578 2.8343 1.0836 1.0836 2.1623 2.1623
C2 1.5089 2.8343 1.9578 2.1623 2.1623 1.0836 1.0836
Br3 1.9578 2.8343 4.6320 2.4957 2.4957 3.0349 3.0349
Br4 2.8343 1.9578 4.6320 3.0349 3.0349 2.4957 2.4957
H5 1.0836 2.1623 2.4957 3.0349 1.7763 2.5035 3.0696
H6 1.0836 2.1623 2.4957 3.0349 1.7763 3.0696 2.5035
H7 2.1623 1.0836 3.0349 2.4957 2.5035 3.0696 1.7763
H8 2.1623 1.0836 3.0349 2.4957 3.0696 2.5035 1.7763
Maximum atom distance is 4.6320Å 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 109.000 C2 C1 Br3 109.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.999 C1 C2 H8 111.999
C2 C1 H5 111.999 C2 C1 H6 111.999
Br3 C1 H5 106.728 Br3 C1 H6 106.728
Br4 C2 H7 106.728 Br4 C2 H8 106.728
H5 C1 H6 110.103 H7 C2 H8 110.103

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