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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 -0.5735 -2.0225 0.0000   -1.9756 -0.7186 0.0000
C2 0.5997 -1.0696 0.0000   -1.1102 0.5206 0.0000
Br3 0.0000 0.7918 0.0000   0.7897 0.0574 0.0000
H4 1.2221 -1.1744 0.8895   -1.2598 1.1338 0.8895
H5 1.2221 -1.1744 -0.8895   -1.2598 1.1338 -0.8895
H6 -0.2056 -3.0561 0.0000   -3.0332 -0.4266 0.0000
H7 -1.1978 -1.8784 0.8864   -1.7867 -1.3308 0.8864
H8 -1.1978 -1.8784 -0.8864   -1.7867 -1.3308 -0.8864
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5114 2.8721 2.1760 2.1760 1.0972 1.0937 1.0937
C2 1.5114 1.9556 1.0907 1.0907 2.1435 2.1612 2.1612
Br3 2.8721 1.9556 2.4801 2.4801 3.8534 3.0579 3.0579
H4 2.1760 1.0907 2.4801 1.7790 2.5240 2.5203 3.0831
H5 2.1760 1.0907 2.4801 1.7790 2.5240 3.0831 2.5203
H6 1.0972 2.1435 3.8534 2.5240 2.5240 1.7768 1.7768
H7 1.0937 2.1612 3.0579 2.5203 3.0831 1.7768 1.7728
H8 1.0937 2.1612 3.0579 3.0831 2.5203 1.7768 1.7728
Maximum atom distance is 3.8534Å 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 111.228
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.482 C1 C2 H5 112.482
C2 C1 H6 109.492 C2 C1 H7 111.102
C2 C1 H8 111.102 Br3 C2 H4 105.453
Br3 C2 H5 105.453 H4 C2 H5 109.279
H6 C1 H7 108.390 H6 C1 H8 108.390
H7 C1 H8 108.281

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