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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/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5733 -2.0227 0.0000   -2.0592 -0.4241 0.0000
C2 0.5996 -1.0704 0.0000   -1.0237 0.6762 0.0000
Br3 0.0000 0.7920 0.0000   0.7899 -0.0578 0.0000
H4 1.2220 -1.1743 0.8895   -1.0820 1.3045 0.8895
H5 1.2220 -1.1743 -0.8895   -1.0820 1.3045 -0.8895
H6 -0.2069 -3.0569 0.0000   -3.0639 0.0169 0.0000
H7 -1.1975 -1.8784 0.8863   -1.9608 -1.0571 0.8863
H8 -1.1975 -1.8784 -0.8863   -1.9608 -1.0571 -0.8863
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5109 2.8725 2.1758 2.1758 1.0972 1.0936 1.0936
C2 1.5109 1.9565 1.0906 1.0906 2.1440 2.1606 2.1606
Br3 2.8725 1.9565 2.4801 2.4801 3.8545 3.0579 3.0579
H4 2.1758 1.0906 2.4801 1.7790 2.5253 2.5198 3.0827
H5 2.1758 1.0906 2.4801 1.7790 2.5253 3.0827 2.5198
H6 1.0972 2.1440 3.8545 2.5253 2.5253 1.7764 1.7764
H7 1.0936 2.1606 3.0579 2.5198 3.0827 1.7764 1.7726
H8 1.0936 2.1606 3.0579 3.0827 2.5198 1.7764 1.7726
Maximum atom distance is 3.8545Å 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 111.229
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.515 C1 C2 H5 112.515
C2 C1 H6 109.566 C2 C1 H7 111.093
C2 C1 H8 111.093 Br3 C2 H4 105.406
Br3 C2 H5 105.406 H4 C2 H5 109.296
H6 C1 H7 108.363 H6 C1 H8 108.363
H7 C1 H8 108.277

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