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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5852 -2.0849 0.0000   -2.0396 -0.7276 0.0000
C2 0.6143 -1.1297 0.0000   -1.1694 0.5349 0.0000
Br3 0.0000 0.8207 0.0000   0.8187 0.0566 0.0000
H4 1.2312 -1.2157 0.8969   -1.2977 1.1444 0.8969
H5 1.2312 -1.2157 -0.8969   -1.2977 1.1444 -0.8969
H6 -0.2185 -3.1232 0.0000   -3.1007 -0.4334 0.0000
H7 -1.2090 -1.9411 0.8889   -1.8531 -1.3400 0.8889
H8 -1.2090 -1.9411 -0.8889   -1.8531 -1.3400 -0.8889
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5334 2.9639 2.2044 2.2044 1.1011 1.0954 1.0954
C2 1.5334 2.0448 1.0920 1.0920 2.1604 2.1847 2.1847
Br3 2.9639 2.0448 2.5430 2.5430 3.9499 3.1431 3.1431
H4 2.2044 1.0920 2.5430 1.7937 2.5582 2.5457 3.1096
H5 2.2044 1.0920 2.5430 1.7937 2.5582 3.1096 2.5457
H6 1.1011 2.1604 3.9499 2.5582 2.5582 1.7800 1.7800
H7 1.0954 2.1847 3.1431 2.5457 3.1096 1.7800 1.7777
H8 1.0954 2.1847 3.1431 3.1096 2.5457 1.7800 1.7777
Maximum atom distance is 3.9499Å 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 111.050
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 113.134 C1 C2 H5 113.134
C2 C1 H6 109.079 C2 C1 H7 111.326
C2 C1 H8 111.326 Br3 C2 H4 104.172
Br3 C2 H5 104.172 H4 C2 H5 110.440
H6 C1 H7 108.268 H6 C1 H8 108.268
H7 C1 H8 108.477

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