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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

HSEh1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5734 -2.0228 0.0000   -2.0592 -0.4245 0.0000
C2 0.5999 -1.0723 0.0000   -1.0257 0.6764 0.0000
Br3 0.0000 0.7924 0.0000   0.7902 -0.0577 0.0000
H4 1.2220 -1.1748 0.8892   -1.0826 1.3043 0.8892
H5 1.2220 -1.1748 -0.8892   -1.0826 1.3043 -0.8892
H6 -0.2090 -3.0566 0.0000   -3.0637 0.0143 0.0000
H7 -1.1970 -1.8777 0.8853   -1.9599 -1.0570 0.8853
H8 -1.1970 -1.8777 -0.8853   -1.9599 -1.0570 -0.8853
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5100 2.8730 2.1756 2.1756 1.0961 1.0926 1.0926
C2 1.5100 1.9588 1.0901 1.0901 2.1428 2.1590 2.1590
Br3 2.8730 1.9588 2.4806 2.4806 3.8546 3.0570 3.0570
H4 2.1756 1.0901 2.4806 1.7784 2.5258 2.5191 3.0813
H5 2.1756 1.0901 2.4806 1.7784 2.5258 3.0813 2.5191
H6 1.0961 2.1428 3.8546 2.5258 2.5258 1.7748 1.7748
H7 1.0926 2.1590 3.0570 2.5191 3.0813 1.7748 1.7705
H8 1.0926 2.1590 3.0570 3.0813 2.5191 1.7748 1.7705
Maximum atom distance is 3.8546Å 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 111.180
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.598 C1 C2 H5 112.598
C2 C1 H6 109.596 C2 C1 H7 111.091
C2 C1 H8 111.091 Br3 C2 H4 105.324
Br3 C2 H5 105.324 H4 C2 H5 109.322
H6 C1 H7 108.366 H6 C1 H8 108.366
H7 C1 H8 108.245

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