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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5706 -2.0249 0.0000   -1.9768 -0.7197 0.0000
C2 0.5957 -1.0693 0.0000   -1.1106 0.5145 0.0000
Br3 0.0000 0.7925 0.0000   0.7903 0.0590 0.0000
H4 1.2158 -1.1726 0.8855   -1.2598 1.1252 0.8855
H5 1.2158 -1.1726 -0.8855   -1.2598 1.1252 -0.8855
H6 -0.1966 -3.0513 0.0000   -3.0282 -0.4230 0.0000
H7 -1.1927 -1.8875 0.8830   -1.7936 -1.3298 0.8830
H8 -1.1927 -1.8875 -0.8830   -1.7936 -1.3298 -0.8830
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5077 2.8745 2.1683 2.1683 1.0925 1.0888 1.0888
C2 1.5077 1.9547 1.0860 1.0860 2.1345 2.1558 2.1558
Br3 2.8745 1.9547 2.4746 2.4746 3.8488 3.0634 3.0634
H4 2.1683 1.0860 2.4746 1.7710 2.5117 2.5123 3.0724
H5 2.1683 1.0860 2.4746 1.7710 2.5117 3.0724 2.5123
H6 1.0925 2.1345 3.8488 2.5117 2.5117 1.7682 1.7682
H7 1.0888 2.1558 3.0634 2.5123 3.0724 1.7682 1.7661
H8 1.0888 2.1558 3.0634 3.0724 2.5123 1.7682 1.7661
Maximum atom distance is 3.8488Å 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 111.588
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.421 C1 C2 H5 112.421
C2 C1 H6 109.309 C2 C1 H7 111.221
C2 C1 H8 111.221 Br3 C2 H4 105.344
Br3 C2 H5 105.344 H4 C2 H5 109.255
H6 C1 H7 108.307 H6 C1 H8 108.307
H7 C1 H8 108.386

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