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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5743 -2.0312 0.0000   -1.9842 -0.7203 0.0000
C2 0.6006 -1.0769 0.0000   -1.1177 0.5208 0.0000
Br3 0.0000 0.7957 0.0000   0.7936 0.0578 0.0000
H4 1.2224 -1.1786 0.8903   -1.2643 1.1336 0.8903
H5 1.2224 -1.1786 -0.8903   -1.2643 1.1336 -0.8903
H6 -0.2053 -3.0651 0.0000   -3.0421 -0.4273 0.0000
H7 -1.1986 -1.8885 0.8869   -1.7965 -1.3325 0.8869
H8 -1.1986 -1.8885 -0.8869   -1.7965 -1.3325 -0.8869
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5137 2.8847 2.1790 2.1790 1.0978 1.0939 1.0939
C2 1.5137 1.9665 1.0907 1.0907 2.1453 2.1638 2.1638
Br3 2.8847 1.9665 2.4869 2.4869 3.8662 3.0705 3.0705
H4 2.1790 1.0907 2.4869 1.7806 2.5278 2.5229 3.0860
H5 2.1790 1.0907 2.4869 1.7806 2.5278 3.0860 2.5229
H6 1.0978 2.1453 3.8662 2.5278 2.5278 1.7769 1.7769
H7 1.0939 2.1638 3.0705 2.5229 3.0860 1.7769 1.7738
H8 1.0939 2.1638 3.0705 3.0860 2.5229 1.7769 1.7738
Maximum atom distance is 3.8662Å 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 111.302
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.567 C1 C2 H5 112.567
C2 C1 H6 109.439 C2 C1 H7 111.142
C2 C1 H8 111.142 Br3 C2 H4 105.241
Br3 C2 H5 105.241 H4 C2 H5 109.425
H6 C1 H7 108.344 H6 C1 H8 108.344
H7 C1 H8 108.343

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