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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

wB97X-D/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5714 -2.0353 0.0000   -1.9889 -0.7163 0.0000
C2 0.5954 -1.0677 0.0000   -1.1077 0.5170 0.0000
Br3 0.0000 0.7952 0.0000   0.7932 0.0572 0.0000
H4 1.2173 -1.1747 0.8885   -1.2593 1.1296 0.8885
H5 1.2173 -1.1747 -0.8885   -1.2593 1.1296 -0.8885
H6 -0.1857 -3.0607 0.0000   -3.0394 -0.4054 0.0000
H7 -1.1964 -1.9026 0.8866   -1.8116 -1.3302 0.8866
H8 -1.1964 -1.9026 -0.8866   -1.8116 -1.3302 -0.8866
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5158 2.8876 2.1747 2.1747 1.0956 1.0928 1.0928
C2 1.5158 1.9557 1.0898 1.0898 2.1406 2.1665 2.1665
Br3 2.8876 1.9557 2.4803 2.4803 3.8604 3.0815 3.0815
H4 2.1747 1.0898 2.4803 1.7771 2.5129 2.5210 3.0833
H5 2.1747 1.0898 2.4803 1.7771 2.5129 3.0833 2.5210
H6 1.0956 2.1406 3.8604 2.5129 2.5129 1.7744 1.7744
H7 1.0928 2.1665 3.0815 2.5210 3.0833 1.7744 1.7731
H8 1.0928 2.1665 3.0815 3.0833 2.5210 1.7744 1.7731
Maximum atom distance is 3.8604Å 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 111.947
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.119 C1 C2 H5 112.119
C2 C1 H6 109.059 C2 C1 H7 111.269
C2 C1 H8 111.269 Br3 C2 H4 105.505
Br3 C2 H5 105.505 H4 C2 H5 109.231
H6 C1 H7 108.358 H6 C1 H8 108.358
H7 C1 H8 108.440

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