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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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6545 0.0000   0.2061 0.6212 0.0000
C2 1.2535 -0.1955 0.0000   1.1281 -0.5803 0.0000
Br3 -1.6163 -0.5670 0.0000   -1.7126 -0.0291 0.0000
Cl4 2.7372 0.9511 0.0000   2.8974 0.0407 0.0000
H5 -0.0922 1.2557 0.8849   0.3079 1.2209 0.8849
H6 -0.0922 1.2557 -0.8849   0.3079 1.2209 -0.8849
H7 1.3513 -0.7950 0.8852   1.0322 -1.1801 0.8852
H8 1.3513 -0.7950 -0.8852   1.0322 -1.1801 -0.8852
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5145 2.0259 2.7532 1.0738 1.0738 2.1704 2.1704
C2 1.5145 2.8937 1.8751 2.1679 2.1679 1.0735 1.0735
Br3 2.0259 2.8937 4.6105 2.5353 2.5353 3.1052 3.1052
Cl4 2.7532 1.8751 4.6105 2.9801 2.9801 2.3985 2.3985
H5 1.0738 2.1679 2.5353 2.9801 1.7698 2.5078 3.0696
H6 1.0738 2.1679 2.5353 2.9801 1.7698 3.0696 2.5078
H7 2.1704 1.0735 3.1052 2.3985 2.5078 3.0696 1.7703
H8 2.1704 1.0735 3.1052 2.3985 3.0696 2.5078 1.7703
Maximum atom distance is 4.6105Å 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 108.164 C2 C1 Br3 108.781
C2 C1 Cl4 40.325
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.883 C1 C2 H8 112.883
C2 C1 H6 112.664 Br3 C1 H5 105.608
Br3 C1 H6 105.608 Cl4 C2 H7 105.625
Cl4 C2 H8 105.625 H5 C1 H6 110.990
H7 C2 H8 111.082

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