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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5746 -2.0281 0.0000   -1.9818 -0.7182 0.0000
C2 0.6005 -1.0651 0.0000   -1.1053 0.5228 0.0000
Br3 0.0000 0.7925 0.0000   0.7904 0.0567 0.0000
H4 1.2174 -1.1739 0.8814   -1.2580 1.1304 0.8814
H5 1.2174 -1.1739 -0.8814   -1.2580 1.1304 -0.8814
H6 -0.2021 -3.0522 0.0000   -3.0299 -0.4198 0.0000
H7 -1.1941 -1.8884 0.8810   -1.7982 -1.3260 0.8810
H8 -1.1941 -1.8884 -0.8810   -1.7982 -1.3260 -0.8810
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5193 2.8785 2.1721 2.1721 1.0897 1.0860 1.0860
C2 1.5193 1.9522 1.0813 1.0813 2.1431 2.1620 2.1620
Br3 2.8785 1.9522 2.4750 2.4750 3.8499 3.0641 3.0641
H4 2.1721 1.0813 2.4750 1.7628 2.5139 2.5151 3.0711
H5 2.1721 1.0813 2.4750 1.7628 2.5139 3.0711 2.5151
H6 1.0897 2.1431 3.8499 2.5139 2.5139 1.7648 1.7648
H7 1.0860 2.1620 3.0641 2.5151 3.0711 1.7648 1.7619
H8 1.0860 2.1620 3.0641 3.0711 2.5151 1.7648 1.7619
Maximum atom distance is 3.8499Å 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 111.421
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.179 C1 C2 H5 112.179
C2 C1 H6 109.344 C2 C1 H7 111.078
C2 C1 H8 111.078 Br3 C2 H4 105.739
Br3 C2 H5 105.739 H4 C2 H5 109.191
H6 C1 H7 108.416 H6 C1 H8 108.416
H7 C1 H8 108.431

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