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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

BLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5804 -2.0652 0.0000   -2.0205 -0.7207 0.0000
C2 0.6076 -1.1087 0.0000   -1.1478 0.5301 0.0000
Br3 0.0000 0.8112 0.0000   0.8093 0.0557 0.0000
H4 1.2315 -1.1996 0.8971   -1.2813 1.1463 0.8971
H5 1.2315 -1.1996 -0.8971   -1.2813 1.1463 -0.8971
H6 -0.2110 -3.1061 0.0000   -3.0843 -0.4237 0.0000
H7 -1.2078 -1.9224 0.8917   -1.8350 -1.3369 0.8917
H8 -1.2078 -1.9224 -0.8917   -1.8350 -1.3369 -0.8917
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5252 2.9344 2.1993 2.1993 1.1045 1.0997 1.0997
C2 1.5252 2.0138 1.0965 1.0965 2.1587 2.1802 2.1802
Br3 2.9344 2.0138 2.5229 2.5229 3.9230 3.1188 3.1188
H4 2.1993 1.0965 2.5229 1.7942 2.5536 2.5442 3.1101
H5 2.1993 1.0965 2.5229 1.7942 2.5536 3.1101 2.5442
H6 1.1045 2.1587 3.9230 2.5536 2.5536 1.7860 1.7860
H7 1.0997 2.1802 3.1188 2.5442 3.1101 1.7860 1.7835
H8 1.0997 2.1802 3.1188 3.1101 2.5442 1.7860 1.7835
Maximum atom distance is 3.9230Å 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 111.274
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 113.032 C1 C2 H5 113.032
C2 C1 H6 109.302 C2 C1 H7 111.287
C2 C1 H8 111.287 Br3 C2 H4 104.518
Br3 C2 H5 104.518 H4 C2 H5 109.802
H6 C1 H7 108.248 H6 C1 H8 108.248
H7 C1 H8 108.371

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