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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

M06-2X/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5840 -2.0262 0.0000   -2.0624 -0.4394 0.0000
C2 0.6166 -1.1047 0.0000   -1.0583 0.6931 0.0000
Br3 0.0000 0.7994 0.0000   0.7974 -0.0565 0.0000
H4 1.2299 -1.2018 0.8926   -1.1119 1.3118 0.8926
H5 1.2299 -1.2018 -0.8926   -1.1119 1.3118 -0.8926
H6 -0.2510 -3.0693 0.0000   -3.0793 -0.0335 0.0000
H7 -1.2020 -1.8603 0.8848   -1.9406 -1.0675 0.8848
H8 -1.2020 -1.8603 -0.8848   -1.9406 -1.0675 -0.8848
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5135 2.8853 2.1833 2.1833 1.0949 1.0920 1.0920
C2 1.5135 2.0014 1.0874 1.0874 2.1476 2.1590 2.1590
Br3 2.8853 2.0014 2.5128 2.5128 3.8768 3.0499 3.0499
H4 2.1833 1.0874 2.5128 1.7853 2.5451 2.5195 3.0834
H5 2.1833 1.0874 2.5128 1.7853 2.5451 3.0834 2.5195
H6 1.0949 2.1476 3.8768 2.5451 2.5451 1.7745 1.7745
H7 1.0920 2.1590 3.0499 2.5195 3.0834 1.7745 1.7697
H8 1.0920 2.1590 3.0499 3.0834 2.5195 1.7745 1.7697
Maximum atom distance is 3.8768Å 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 109.566
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 113.145 C1 C2 H5 113.145
C2 C1 H6 109.802 C2 C1 H7 110.881
C2 C1 H8 110.881 Br3 C2 H4 104.995
Br3 C2 H5 104.995 H4 C2 H5 110.348
H6 C1 H7 108.474 H6 C1 H8 108.474
H7 C1 H8 108.254

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