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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/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5763 -2.0441 0.0000   -1.9976 -0.7212 0.0000
C2 0.6031 -1.0894 0.0000   -1.1298 0.5235 0.0000
Br3 0.0000 0.8017 0.0000   0.7996 0.0574 0.0000
H4 1.2240 -1.1884 0.8905   -1.2730 1.1358 0.8905
H5 1.2240 -1.1884 -0.8905   -1.2730 1.1358 -0.8905
H6 -0.2079 -3.0785 0.0000   -3.0557 -0.4278 0.0000
H7 -1.2005 -1.9011 0.8868   -1.8103 -1.3335 0.8868
H8 -1.2005 -1.9011 -0.8868   -1.8103 -1.3335 -0.8868
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5174 2.9036 2.1832 2.1832 1.0981 1.0938 1.0938
C2 1.5174 1.9850 1.0901 1.0901 2.1480 2.1675 2.1675
Br3 2.9036 1.9850 2.5003 2.5003 3.8858 3.0875 3.0875
H4 2.1832 1.0901 2.5003 1.7809 2.5330 2.5271 3.0895
H5 2.1832 1.0901 2.5003 1.7809 2.5330 3.0895 2.5271
H6 1.0981 2.1480 3.8858 2.5330 2.5330 1.7771 1.7771
H7 1.0938 2.1675 3.0875 2.5271 3.0895 1.7771 1.7737
H8 1.0938 2.1675 3.0875 3.0895 2.5271 1.7771 1.7737
Maximum atom distance is 3.8858Å 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 111.300
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.684 C1 C2 H5 112.684
C2 C1 H6 109.381 C2 C1 H7 111.179
C2 C1 H8 111.179 Br3 C2 H4 105.043
Br3 C2 H5 105.043 H4 C2 H5 109.548
H6 C1 H7 108.337 H6 C1 H8 108.337
H7 C1 H8 108.339

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