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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

mPW1PW91/daug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5721 -2.0298 0.0000   -1.9836 -0.7159 0.0000
C2 0.5964 -1.0733 0.0000   -1.1132 0.5181 0.0000
Br3 0.0000 0.7948 0.0000   0.7928 0.0569 0.0000
H4 1.2201 -1.1762 0.8918   -1.2605 1.1328 0.8918
H5 1.2201 -1.1762 -0.8918   -1.2605 1.1328 -0.8918
H6 -0.1919 -3.0610 0.0000   -3.0395 -0.4105 0.0000
H7 -1.1970 -1.8931 0.8890   -1.8026 -1.3295 0.8890
H8 -1.1970 -1.8931 -0.8890   -1.8026 -1.3295 -0.8890
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5101 2.8819 2.1762 2.1762 1.0991 1.0952 1.0952
C2 1.5101 1.9610 1.0931 1.0931 2.1384 2.1631 2.1631
Br3 2.8819 1.9610 2.4837 2.4837 3.8606 3.0738 3.0738
H4 2.1762 1.0931 2.4837 1.7836 2.5183 2.5212 3.0867
H5 2.1762 1.0931 2.4837 1.7836 2.5183 3.0867 2.5212
H6 1.0991 2.1384 3.8606 2.5183 2.5183 1.7790 1.7790
H7 1.0952 2.1631 3.0738 2.5212 3.0867 1.7790 1.7780
H8 1.0952 2.1631 3.0738 3.0867 2.5212 1.7790 1.7780
Maximum atom distance is 3.8606Å 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 111.593
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.449 C1 C2 H5 112.449
C2 C1 H6 109.062 C2 C1 H7 111.252
C2 C1 H8 111.252 Br3 C2 H4 105.262
Br3 C2 H5 105.262 H4 C2 H5 109.345
H6 C1 H7 108.329 H6 C1 H8 108.329
H7 C1 H8 108.527

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