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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=FULL/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5737 -2.0209 0.0000   -1.9721 -0.7239 0.0000
C2 0.5994 -1.0614 0.0000   -1.1034 0.5180 0.0000
Br3 0.0000 0.7900 0.0000   0.7878 0.0593 0.0000
H4 1.2195 -1.1774 0.8883   -1.2657 1.1276 0.8883
H5 1.2195 -1.1774 -0.8883   -1.2657 1.1276 -0.8883
H6 -0.2015 -3.0506 0.0000   -3.0269 -0.4299 0.0000
H7 -1.1958 -1.8761 0.8852   -1.7810 -1.3333 0.8852
H8 -1.1958 -1.8761 -0.8852   -1.7810 -1.3333 -0.8852
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5156 2.8689 2.1717 2.1717 1.0949 1.0916 1.0916
C2 1.5156 1.9460 1.0895 1.0895 2.1444 2.1610 2.1610
Br3 2.8689 1.9460 2.4793 2.4793 3.8459 3.0531 3.0531
H4 2.1717 1.0895 2.4793 1.7766 2.5134 2.5143 3.0768
H5 2.1717 1.0895 2.4793 1.7766 2.5134 3.0768 2.5143
H6 1.0949 2.1444 3.8459 2.5134 2.5134 1.7753 1.7753
H7 1.0916 2.1610 3.0531 2.5143 3.0768 1.7753 1.7704
H8 1.0916 2.1610 3.0531 3.0768 2.5143 1.7753 1.7704
Maximum atom distance is 3.8459Å 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 111.341
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.906 C1 C2 H5 111.906
C2 C1 H6 109.404 C2 C1 H7 110.922
C2 C1 H8 110.922 Br3 C2 H4 106.061
Br3 C2 H5 106.061 H4 C2 H5 109.237
H6 C1 H7 108.574 H6 C1 H8 108.574
H7 C1 H8 108.380

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