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Geometry for C2H5Br (Ethyl bromide) 1A' CS

1910171554
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 INChIKey=RDHPKYGYEGBMSE-UHFFFAOYSA-N

CCD/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5735 -2.0385 0.0000   -1.9923 -0.7176 0.0000
C2 0.5982 -1.0748 0.0000   -1.1148 0.5199 0.0000
Br3 0.0000 0.7973 0.0000   0.7953 0.0569 0.0000
H4 1.2167 -1.1820 0.8868   -1.2659 1.1292 0.8868
H5 1.2167 -1.1820 -0.8868   -1.2659 1.1292 -0.8868
H6 -0.1936 -3.0626 0.0000   -3.0409 -0.4118 0.0000
H7 -1.1940 -1.8999 0.8842   -1.8097 -1.3267 0.8842
H8 -1.1940 -1.8999 -0.8842   -1.8097 -1.3267 -0.8842
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5170 2.8932 2.1736 2.1736 1.0923 1.0891 1.0891
C2 1.5170 1.9654 1.0865 1.0865 2.1396 2.1620 2.1620
Br3 2.8932 1.9654 2.4869 2.4869 3.8647 3.0793 3.0793
H4 2.1736 1.0865 2.4869 1.7736 2.5123 2.5154 3.0763
H5 2.1736 1.0865 2.4869 1.7736 2.5123 3.0763 2.5154
H6 1.0923 2.1396 3.8647 2.5123 2.5123 1.7705 1.7705
H7 1.0891 2.1620 3.0793 2.5154 3.0763 1.7705 1.7684
H8 1.0891 2.1620 3.0793 3.0763 2.5154 1.7705 1.7684
Maximum atom distance is 3.8647Å between atoms Br3 and H6.
picture of Ethyl bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br3 111.718
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.150 C1 C2 H5 112.150
C2 C1 H6 109.084 C2 C1 H7 111.053
C2 C1 H8 111.053 Br3 C2 H4 105.500
Br3 C2 H5 105.500 H4 C2 H5 109.408
H6 C1 H7 108.513 H6 C1 H8 108.513
H7 C1 H8 108.555

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