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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5751 -2.0021 0.0000   -2.0398 -0.4225 0.0000
C2 0.6011 -1.0441 0.0000   -0.9958 0.6781 0.0000
Br3 0.0000 0.7815 0.0000   0.7792 -0.0589 0.0000
H4 1.2238 -1.1682 0.8842   -1.0726 1.3084 0.8842
H5 1.2238 -1.1682 -0.8842   -1.0726 1.3084 -0.8842
H6 -0.2117 -3.0324 0.0000   -3.0397 0.0176 0.0000
H7 -1.1957 -1.8528 0.8833   -1.9377 -1.0526 0.8833
H8 -1.1957 -1.8528 -0.8833   -1.9377 -1.0526 -0.8833
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5170 2.8424 2.1710 2.1710 1.0925 1.0898 1.0898
C2 1.5170 1.9219 1.0886 1.0886 2.1480 2.1593 2.1593
Br3 2.8424 1.9219 2.4659 2.4659 3.8197 3.0248 3.0248
H4 2.1710 1.0886 2.4659 1.7685 2.5135 2.5145 3.0736
H5 2.1710 1.0886 2.4659 1.7685 2.5135 3.0736 2.5145
H6 1.0925 2.1480 3.8197 2.5135 2.5135 1.7720 1.7720
H7 1.0898 2.1593 3.0248 2.5145 3.0736 1.7720 1.7667
H8 1.0898 2.1593 3.0248 3.0736 2.5145 1.7720 1.7667
Maximum atom distance is 3.8197Å 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 110.939
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.808 C1 C2 H5 111.808
C2 C1 H6 109.731 C2 C1 H7 110.792
C2 C1 H8 110.792 Br3 C2 H4 106.691
Br3 C2 H5 106.691 H4 C2 H5 108.637
H6 C1 H7 108.583 H6 C1 H8 108.583
H7 C1 H8 108.295

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