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Geometry for CH2BrCH2Cl (1-bromo-2-chloroethane) 1A' CS

1910171554
InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2 INChIKey=IBYHHJPAARCAIE-UHFFFAOYSA-N

mPW1PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6522 0.0000   -0.1711 -0.6293 0.0000
C2 1.2243 -0.2314 0.0000   -1.1207 0.5444 0.0000
Br3 -1.5897 -0.4810 0.0000   1.6602 0.0472 0.0000
Cl4 2.6991 0.7933 0.0000   -2.8127 -0.0575 0.0000
H5 -0.0563 1.2728 0.8922   -0.2796 -1.2430 0.8922
H6 -0.0563 1.2728 -0.8922   -0.2796 -1.2430 -0.8922
H7 1.2605 -0.8606 0.8888   -0.9906 1.1612 0.8888
H8 1.2605 -0.8606 -0.8888   -0.9906 1.1612 -0.8888
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5098 1.9522 2.7028 1.0883 1.0883 2.1605 2.1605
C2 1.5098 2.8250 1.7959 2.1675 2.1675 1.0896 1.0896
Br3 1.9522 2.8250 4.4741 2.4946 2.4946 3.0096 3.0096
Cl4 2.7028 1.7959 4.4741 2.9356 2.9356 2.3654 2.3654
H5 1.0883 2.1675 2.4946 2.9356 1.7844 2.5071 3.0753
H6 1.0883 2.1675 2.4946 2.9356 1.7844 3.0753 2.5071
H7 2.1605 1.0896 3.0096 2.3654 2.5071 3.0753 1.7776
H8 2.1605 1.0896 3.0096 2.3654 3.0753 2.5071 1.7776
Maximum atom distance is 4.4741Å between atoms Br3 and Cl4.
picture of 1-bromo-2-chloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 109.391 C2 C1 Br3 108.699
C2 C1 Cl4 38.811
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.405 C1 C2 H8 111.405
C2 C1 H6 112.064 Br3 C1 H5 106.793
Br3 C1 H6 106.793 Cl4 C2 H7 107.588
Cl4 C2 H8 107.588 H5 C1 H6 110.137
H7 C2 H8 109.315

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