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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

MP2/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5750 -2.0249 0.0000   -1.9777 -0.7208 0.0000
C2 0.6012 -1.0683 0.0000   -1.1092 0.5219 0.0000
Br3 0.0000 0.7924 0.0000   0.7903 0.0577 0.0000
H4 1.2202 -1.1789 0.8893   -1.2646 1.1311 0.8893
H5 1.2202 -1.1789 -0.8893   -1.2646 1.1311 -0.8893
H6 -0.2049 -3.0552 0.0000   -3.0322 -0.4267 0.0000
H7 -1.1962 -1.8805 0.8852   -1.7885 -1.3299 0.8852
H8 -1.1962 -1.8805 -0.8852   -1.7885 -1.3299 -0.8852
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5161 2.8754 2.1747 2.1747 1.0947 1.0910 1.0910
C2 1.5161 1.9553 1.0892 1.0892 2.1442 2.1619 2.1619
Br3 2.8754 1.9553 2.4831 2.4831 3.8530 3.0592 3.0592
H4 2.1747 1.0892 2.4831 1.7787 2.5184 2.5162 3.0790
H5 2.1747 1.0892 2.4831 1.7787 2.5184 3.0790 2.5162
H6 1.0947 2.1442 3.8530 2.5184 2.5184 1.7737 1.7737
H7 1.0910 2.1619 3.0592 2.5162 3.0790 1.7737 1.7704
H8 1.0910 2.1619 3.0592 3.0790 2.5162 1.7737 1.7704
Maximum atom distance is 3.8530Å 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 111.217
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.135 C1 C2 H5 112.135
C2 C1 H6 109.365 C2 C1 H7 110.990
C2 C1 H8 110.990 Br3 C2 H4 105.748
Br3 C2 H5 105.748 H4 C2 H5 109.476
H6 C1 H7 108.483 H6 C1 H8 108.483
H7 C1 H8 108.457

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