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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

MP2/cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5722 -2.0059 0.0000   -2.0429 -0.4216 0.0000
C2 0.5979 -1.0535 0.0000   -1.0061 0.6745 0.0000
Br3 0.0000 0.7838 0.0000   0.7816 -0.0582 0.0000
H4 1.2166 -1.1626 0.8834   -1.0690 1.2996 0.8834
H5 1.2166 -1.1626 -0.8834   -1.0690 1.2996 -0.8834
H6 -0.2064 -3.0320 0.0000   -3.0389 0.0194 0.0000
H7 -1.1906 -1.8593 0.8808   -1.9426 -1.0491 0.8808
H8 -1.1906 -1.8593 -0.8808   -1.9426 -1.0491 -0.8808
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5087 2.8478 2.1659 2.1659 1.0893 1.0862 1.0862
C2 1.5087 1.9321 1.0840 1.0840 2.1357 2.1503 2.1503
Br3 2.8478 1.9321 2.4594 2.4594 3.8213 3.0297 3.0297
H4 2.1659 1.0840 2.4594 1.7669 2.5100 2.5059 3.0647
H5 2.1659 1.0840 2.4594 1.7669 2.5100 3.0647 2.5059
H6 1.0893 2.1357 3.8213 2.5100 2.5100 1.7662 1.7662
H7 1.0862 2.1503 3.0297 2.5059 3.0647 1.7662 1.7617
H8 1.0862 2.1503 3.0297 3.0647 2.5059 1.7662 1.7617
Maximum atom distance is 3.8213Å 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 111.117
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.276 C1 C2 H5 112.276
C2 C1 H6 109.524 C2 C1 H7 110.874
C2 C1 H8 110.874 Br3 C2 H4 105.803
Br3 C2 H5 105.803 H4 C2 H5 109.168
H6 C1 H7 108.561 H6 C1 H8 108.561
H7 C1 H8 108.381

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