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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B1B95/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5701 -2.0187 0.0000   -2.0549 -0.4211 0.0000
C2 0.5953 -1.0658 0.0000   -1.0195 0.6716 0.0000
Br3 0.0000 0.7899 0.0000   0.7878 -0.0577 0.0000
H4 1.2145 -1.1677 0.8837   -1.0759 1.2965 0.8837
H5 1.2145 -1.1677 -0.8837   -1.0759 1.2965 -0.8837
H6 -0.1986 -3.0439 0.0000   -3.0502 0.0243 0.0000
H7 -1.1908 -1.8803 0.8812   -1.9623 -1.0502 0.8812
H8 -1.1908 -1.8803 -0.8812   -1.9623 -1.0502 -0.8812
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5053 2.8659 2.1656 2.1656 1.0904 1.0867 1.0867
C2 1.5053 1.9489 1.0838 1.0838 2.1314 2.1518 2.1518
Br3 2.8659 1.9489 2.4674 2.4674 3.8389 3.0536 3.0536
H4 2.1656 1.0838 2.4674 1.7674 2.5095 2.5086 3.0672
H5 2.1656 1.0838 2.4674 1.7674 2.5095 3.0672 2.5086
H6 1.0904 2.1314 3.8389 2.5095 2.5095 1.7649 1.7649
H7 1.0867 2.1518 3.0536 2.5086 3.0672 1.7649 1.7624
H8 1.0867 2.1518 3.0536 3.0672 2.5086 1.7649 1.7624
Maximum atom distance is 3.8389Å 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 111.486
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.504 C1 C2 H5 112.504
C2 C1 H6 109.355 C2 C1 H7 111.198
C2 C1 H8 111.198 Br3 C2 H4 105.310
Br3 C2 H5 105.310 H4 C2 H5 109.243
H6 C1 H7 108.317 H6 C1 H8 108.317
H7 C1 H8 108.366

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