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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B3LYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5723 -2.0452 0.0000   -1.9998 -0.7151 0.0000
C2 0.5975 -1.0857 0.0000   -1.1251 0.5194 0.0000
Br3 0.0000 0.8012 0.0000   0.7992 0.0565 0.0000
H4 1.2165 -1.1821 0.8865   -1.2649 1.1301 0.8865
H5 1.2165 -1.1821 -0.8865   -1.2649 1.1301 -0.8865
H6 -0.1941 -3.0712 0.0000   -3.0498 -0.4103 0.0000
H7 -1.1950 -1.9113 0.8836   -1.8222 -1.3268 0.8836
H8 -1.1950 -1.9113 -0.8836   -1.8222 -1.3268 -0.8836
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5130 2.9034 2.1750 2.1750 1.0934 1.0892 1.0892
C2 1.5130 1.9793 1.0855 1.0855 2.1375 2.1622 2.1622
Br3 2.9034 1.9793 2.4898 2.4898 3.8773 3.0930 3.0930
H4 2.1750 1.0855 2.4898 1.7730 2.5188 2.5193 3.0790
H5 2.1750 1.0855 2.4898 1.7730 2.5188 3.0790 2.5193
H6 1.0934 2.1375 3.8773 2.5188 2.5188 1.7686 1.7686
H7 1.0892 2.1622 3.0930 2.5193 3.0790 1.7686 1.7671
H8 1.0892 2.1622 3.0930 3.0790 2.5193 1.7686 1.7671
Maximum atom distance is 3.8773Å 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 111.791
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.617 C1 C2 H5 112.617
C2 C1 H6 109.126 C2 C1 H7 111.346
C2 C1 H8 111.346 Br3 C2 H4 104.879
Br3 C2 H5 104.879 H4 C2 H5 109.505
H6 C1 H7 108.248 H6 C1 H8 108.248
H7 C1 H8 108.428

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