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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

CCD/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5894 -2.0386 0.0000   -1.9908 -0.7348 0.0000
C2 0.6189 -1.0806 0.0000   -1.1224 0.5394 0.0000
Br3 0.0000 0.7981 0.0000   0.7961 0.0575 0.0000
H4 1.2351 -1.1976 0.8957   -1.2835 1.1456 0.8957
H5 1.2351 -1.1976 -0.8957   -1.2835 1.1456 -0.8957
H6 -0.2342 -3.0797 0.0000   -3.0548 -0.4555 0.0000
H7 -1.2065 -1.8728 0.8912   -1.7810 -1.3384 0.8912
H8 -1.2065 -1.8728 -0.8912   -1.7810 -1.3384 -0.8912
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5420 2.8973 2.1997 2.1997 1.1000 1.0966 1.0966
C2 1.5420 1.9780 1.0935 1.0935 2.1735 2.1804 2.1804
Br3 2.8973 1.9780 2.5121 2.5121 3.8849 3.0633 3.0633
H4 2.1997 1.0935 2.5121 1.7914 2.5502 2.5333 3.1001
H5 2.1997 1.0935 2.5121 1.7914 2.5502 3.1001 2.5333
H6 1.1000 2.1735 3.8849 2.5502 2.5502 1.7878 1.7878
H7 1.0966 2.1804 3.0633 2.5333 3.1001 1.7878 1.7825
H8 1.0966 2.1804 3.0633 3.1001 2.5333 1.7878 1.7825
Maximum atom distance is 3.8849Å 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 110.174
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.031 C1 C2 H5 112.031
C2 C1 H6 109.566 C2 C1 H7 110.306
C2 C1 H8 110.306 Br3 C2 H4 106.138
Br3 C2 H5 106.138 H4 C2 H5 109.998
H6 C1 H7 108.954 H6 C1 H8 108.954
H7 C1 H8 108.723

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