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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5778 -2.0389 0.0000   -2.0754 -0.4287 0.0000
C2 0.6047 -1.0846 0.0000   -1.0380 0.6816 0.0000
Br3 0.0000 0.7993 0.0000   0.7972 -0.0578 0.0000
H4 1.2255 -1.1915 0.8921   -1.0997 1.3085 0.8921
H5 1.2255 -1.1915 -0.8921   -1.0997 1.3085 -0.8921
H6 -0.2118 -3.0750 0.0000   -3.0823 0.0113 0.0000
H7 -1.2002 -1.8887 0.8887   -1.9706 -1.0603 0.8887
H8 -1.2002 -1.8887 -0.8887   -1.9706 -1.0603 -0.8887
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5195 2.8965 2.1830 2.1830 1.0988 1.0953 1.0953
C2 1.5195 1.9786 1.0921 1.0921 2.1513 2.1665 2.1665
Br3 2.8965 1.9786 2.5022 2.5022 3.8801 3.0750 3.0750
H4 2.1830 1.0921 2.5022 1.7841 2.5316 2.5238 3.0888
H5 2.1830 1.0921 2.5022 1.7841 2.5316 3.0888 2.5238
H6 1.0988 2.1513 3.8801 2.5316 2.5316 1.7815 1.7815
H7 1.0953 2.1665 3.0750 2.5238 3.0888 1.7815 1.7773
H8 1.0953 2.1665 3.0750 3.0888 2.5238 1.7815 1.7773
Maximum atom distance is 3.8801Å 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 111.112
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.390 C1 C2 H5 112.390
C2 C1 H6 109.450 C2 C1 H7 110.858
C2 C1 H8 110.858 Br3 C2 H4 105.480
Br3 C2 H5 105.480 H4 C2 H5 109.545
H6 C1 H7 108.577 H6 C1 H8 108.577
H7 C1 H8 108.459

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