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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

CCSD(T)/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6448 0.0000   -0.1887 -0.6165 0.0000
C2 1.2439 -0.2354 0.0000   -1.1205 0.5892 0.0000
Br3 -1.6014 -0.4907 0.0000   1.6749 0.0005 0.0000
Cl4 2.7124 0.8181 0.0000   -2.8331 0.0116 0.0000
H5 -0.0487 1.2758 0.9016   -0.3268 -1.2342 0.9016
H6 -0.0487 1.2758 -0.9016   -0.3268 -1.2342 -0.9016
H7 1.2863 -0.8703 0.8999   -0.9752 1.2087 0.8999
H8 1.2863 -0.8703 -0.8999   -0.9752 1.2087 -0.8999
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5238 1.9631 2.7179 1.1016 1.1016 2.1817 2.1817
C2 1.5238 2.8567 1.8073 2.1835 2.1835 1.1021 1.1021
Br3 1.9631 2.8567 4.5080 2.5188 2.5188 3.0484 3.0484
Cl4 2.7179 1.8073 4.5080 2.9405 2.9405 2.3863 2.3863
H5 1.1016 2.1835 2.5188 2.9405 1.8033 2.5275 3.1038
H6 1.1016 2.1835 2.5188 2.9405 1.8033 3.1038 2.5275
H7 2.1817 1.1021 3.0484 2.3863 2.5275 3.1038 1.7998
H8 2.1817 1.1021 3.0484 2.3863 3.1038 2.5275 1.7998
Maximum atom distance is 4.5080Å 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 109.061 C2 C1 Br3 109.379
C2 C1 Cl4 38.940
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.355 C1 C2 H8 111.355
C2 C1 H6 111.531 Br3 C1 H5 107.172
Br3 C1 H6 107.172 Cl4 C2 H7 107.731
Cl4 C2 H8 107.731 H5 C1 H6 109.863
H7 C2 H8 109.470

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