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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

B1B95/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5732 -2.0190 0.0000   -2.0555 -0.4241 0.0000
C2 0.5996 -1.0687 0.0000   -1.0220 0.6761 0.0000
Br3 0.0000 0.7906 0.0000   0.7885 -0.0578 0.0000
H4 1.2204 -1.1733 0.8874   -1.0810 1.3029 0.8874
H5 1.2204 -1.1733 -0.8874   -1.0810 1.3029 -0.8874
H6 -0.2081 -3.0510 0.0000   -3.0580 0.0155 0.0000
H7 -1.1956 -1.8738 0.8844   -1.9562 -1.0554 0.8844
H8 -1.1956 -1.8738 -0.8844   -1.9562 -1.0554 -0.8844
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5095 2.8675 2.1725 2.1725 1.0946 1.0911 1.0911
C2 1.5095 1.9536 1.0881 1.0881 2.1405 2.1571 2.1571
Br3 2.8675 1.9536 2.4767 2.4767 3.8472 3.0513 3.0513
H4 2.1725 1.0881 2.4767 1.7749 2.5206 2.5155 3.0769
H5 2.1725 1.0881 2.4767 1.7749 2.5206 3.0769 2.5155
H6 1.0946 2.1405 3.8472 2.5206 2.5206 1.7729 1.7729
H7 1.0911 2.1571 3.0513 2.5155 3.0769 1.7729 1.7688
H8 1.0911 2.1571 3.0513 3.0769 2.5155 1.7729 1.7688
Maximum atom distance is 3.8472Å 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 111.146
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.503 C1 C2 H5 112.503
C2 C1 H6 109.534 C2 C1 H7 111.062
C2 C1 H8 111.062 Br3 C2 H4 105.466
Br3 C2 H5 105.466 H4 C2 H5 109.292
H6 C1 H7 108.405 H6 C1 H8 108.405
H7 C1 H8 108.294

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