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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B97D3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5757 -2.0540 0.0000   -2.0899 -0.4273 0.0000
C2 0.6008 -1.0934 0.0000   -1.0477 0.6775 0.0000
Br3 0.0000 0.8054 0.0000   0.8033 -0.0576 0.0000
H4 1.2235 -1.1904 0.8944   -1.0998 1.3056 0.8944
H5 1.2235 -1.1904 -0.8944   -1.0998 1.3056 -0.8944
H6 -0.1937 -3.0870 0.0000   -3.0929 0.0277 0.0000
H7 -1.2021 -1.9182 0.8902   -1.9993 -1.0618 0.8902
H8 -1.2021 -1.9182 -0.8902   -1.9993 -1.0618 -0.8902
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5188 2.9167 2.1870 2.1870 1.1014 1.0969 1.0969
C2 1.5188 1.9916 1.0941 1.0941 2.1460 2.1733 2.1733
Br3 2.9167 1.9916 2.5060 2.5060 3.8972 3.1073 3.1073
H4 2.1870 1.0941 2.5060 1.7887 2.5309 2.5325 3.0981
H5 2.1870 1.0941 2.5060 1.7887 2.5309 3.0981 2.5325
H6 1.1014 2.1460 3.8972 2.5309 2.5309 1.7819 1.7819
H7 1.0969 2.1733 3.1073 2.5325 3.0981 1.7819 1.7803
H8 1.0969 2.1733 3.1073 3.0981 2.5325 1.7819 1.7803
Maximum atom distance is 3.8972Å 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 111.670
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.635 C1 C2 H5 112.635
C2 C1 H6 108.932 C2 C1 H7 111.353
C2 C1 H8 111.353 Br3 C2 H4 104.843
Br3 C2 H5 104.843 H4 C2 H5 109.660
H6 C1 H7 108.310 H6 C1 H8 108.310
H7 C1 H8 108.488

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