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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

PBE1PBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5820 -2.0149 0.0000   -2.0524 -0.4318 0.0000
C2 0.6112 -1.0687 0.0000   -1.0207 0.6883 0.0000
Br3 0.0000 0.7896 0.0000   0.7874 -0.0582 0.0000
H4 1.2277 -1.1860 0.8932   -1.0922 1.3119 0.8932
H5 1.2277 -1.1860 -0.8932   -1.0922 1.3119 -0.8932
H6 -0.2304 -3.0549 0.0000   -3.0636 -0.0044 0.0000
H7 -1.2000 -1.8533 0.8883   -1.9368 -1.0600 0.8883
H8 -1.2000 -1.8533 -0.8883   -1.9368 -1.0600 -0.8883
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5229 2.8643 2.1818 2.1818 1.0978 1.0941 1.0941
C2 1.5229 1.9562 1.0916 1.0916 2.1572 2.1645 2.1645
Br3 2.8643 1.9562 2.4916 2.4916 3.8514 3.0355 3.0355
H4 2.1818 1.0916 2.4916 1.7863 2.5331 2.5178 3.0843
H5 2.1818 1.0916 2.4916 1.7863 2.5331 3.0843 2.5178
H6 1.0978 2.1572 3.8514 2.5331 2.5331 1.7813 1.7813
H7 1.0941 2.1645 3.0355 2.5178 3.0843 1.7813 1.7766
H8 1.0941 2.1645 3.0355 3.0843 2.5178 1.7813 1.7766
Maximum atom distance is 3.8514Å 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 110.212
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.071 C1 C2 H5 112.071
C2 C1 H6 109.736 C2 C1 H7 110.532
C2 C1 H8 110.532 Br3 C2 H4 106.174
Br3 C2 H5 106.174 H4 C2 H5 109.807
H6 C1 H7 108.714 H6 C1 H8 108.714
H7 C1 H8 108.564

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