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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

wB97X-D/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5727 -2.0140 0.0000   -2.0512 -0.4204 0.0000
C2 0.5975 -1.0490 0.0000   -1.0013 0.6744 0.0000
Br3 0.0000 0.7858 0.0000   0.7836 -0.0588 0.0000
H4 1.2212 -1.1683 0.8858   -1.0736 1.3053 0.8858
H5 1.2212 -1.1683 -0.8858   -1.0736 1.3053 -0.8858
H6 -0.1978 -3.0430 0.0000   -3.0493 0.0305 0.0000
H7 -1.1966 -1.8733 0.8858   -1.9576 -1.0530 0.8858
H8 -1.1966 -1.8733 -0.8858   -1.9576 -1.0530 -0.8858
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5168 2.8578 2.1722 2.1722 1.0952 1.0926 1.0926
C2 1.5168 1.9297 1.0899 1.0899 2.1468 2.1641 2.1641
Br3 2.8578 1.9297 2.4687 2.4687 3.8340 3.0476 3.0476
H4 2.1722 1.0899 2.4687 1.7717 2.5126 2.5186 3.0793
H5 2.1722 1.0899 2.4687 1.7717 2.5126 3.0793 2.5186
H6 1.0952 2.1468 3.8340 2.5126 2.5126 1.7749 1.7749
H7 1.0926 2.1641 3.0476 2.5186 3.0793 1.7749 1.7716
H8 1.0926 2.1641 3.0476 3.0793 2.5186 1.7749 1.7716
Maximum atom distance is 3.8340Å 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 111.470
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.832 C1 C2 H5 111.832
C2 C1 H6 109.490 C2 C1 H7 111.018
C2 C1 H8 111.018 Br3 C2 H4 106.335
Br3 C2 H5 106.335 H4 C2 H5 108.730
H6 C1 H7 108.447 H6 C1 H8 108.447
H7 C1 H8 108.343

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