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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

HF/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5714 -2.0337 0.0000   -1.9878 -0.7151 0.0000
C2 0.5964 -1.0718 0.0000   -1.1117 0.5184 0.0000
Br3 0.0000 0.7951 0.0000   0.7931 0.0568 0.0000
H4 1.2096 -1.1730 0.8787   -1.2563 1.1227 0.8787
H5 1.2096 -1.1730 -0.8787   -1.2563 1.1227 -0.8787
H6 -0.1923 -3.0509 0.0000   -3.0294 -0.4096 0.0000
H7 -1.1885 -1.8994 0.8777   -1.8097 -1.3211 0.8777
H8 -1.1885 -1.8994 -0.8777   -1.8097 -1.3211 -0.8777
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5129 2.8860 2.1644 2.1644 1.0855 1.0813 1.0813
C2 1.5129 1.9599 1.0763 1.0763 2.1304 2.1543 2.1543
Br3 2.8860 1.9599 2.4715 2.4715 3.8508 3.0730 3.0730
H4 2.1644 1.0763 2.4715 1.7574 2.5028 2.5057 3.0600
H5 2.1644 1.0763 2.4715 1.7574 2.5028 3.0600 2.5057
H6 1.0855 2.1304 3.8508 2.5028 2.5028 1.7575 1.7575
H7 1.0813 2.1543 3.0730 2.5057 3.0600 1.7575 1.7554
H8 1.0813 2.1543 3.0730 3.0600 2.5057 1.7575 1.7554
Maximum atom distance is 3.8508Å 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 111.763
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.333 C1 C2 H5 112.333
C2 C1 H6 109.042 C2 C1 H7 111.194
C2 C1 H8 111.194 Br3 C2 H4 105.241
Br3 C2 H5 105.241 H4 C2 H5 109.461
H6 C1 H7 108.405 H6 C1 H8 108.405
H7 C1 H8 108.519

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