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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

HF/Def2TZVPP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4897 0.5732 0.0000   0.6602 0.3640 0.0000
C2 -0.4897 -0.5732 0.0000   -0.6602 -0.3640 0.0000
Br3 -0.4897 2.2654 0.0000   2.1200 -0.9366 0.0000
Br4 0.4897 -2.2654 0.0000   -2.1200 0.9366 0.0000
H5 1.1045 0.5806 0.8814   0.7914 0.9647 0.8814
H6 1.1045 0.5806 -0.8814   0.7914 0.9647 -0.8814
H7 -1.1045 -0.5806 0.8814   -0.7914 -0.9647 0.8814
H8 -1.1045 -0.5806 -0.8814   -0.7914 -0.9647 -0.8814
Atom - Atom Distances (Å)
  C1 C2 Br3 Br4 H5 H6 H7 H8
C1 1.5077 1.9551 2.8385 1.0747 1.0747 2.1563 2.1563
C2 1.5077 2.8385 1.9551 2.1563 2.1563 1.0747 1.0747
Br3 1.9551 2.8385 4.6353 2.4813 2.4813 3.0421 3.0421
Br4 2.8385 1.9551 4.6353 3.0421 3.0421 2.4813 2.4813
H5 1.0747 2.1563 2.4813 3.0421 1.7628 2.4957 3.0555
H6 1.0747 2.1563 2.4813 3.0421 1.7628 3.0555 2.4957
H7 2.1563 1.0747 3.0421 2.4813 2.4957 3.0555 1.7628
H8 2.1563 1.0747 3.0421 2.4813 3.0555 2.4957 1.7628
Maximum atom distance is 4.6353Å 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 109.433 C2 C1 Br3 109.433
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.140 C1 C2 H8 112.140
C2 C1 H5 112.140 C2 C1 H6 112.140
Br3 C1 H5 106.297 Br3 C1 H6 106.297
Br4 C2 H7 106.297 Br4 C2 H8 106.297
H5 C1 H6 110.196 H7 C2 H8 110.196

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