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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

MP2=FULL/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6382 0.0000   0.1504 0.6202 0.0000
C2 1.1953 -0.2819 0.0000   1.0952 -0.5557 0.0000
Br3 -1.5780 -0.4162 0.0000   -1.6316 -0.0326 0.0000
Cl4 2.6857 0.6892 0.0000   2.7725 0.0367 0.0000
H5 -0.0067 1.2678 0.8850   0.2923 1.2337 0.8850
H6 -0.0067 1.2678 -0.8850   0.2923 1.2337 -0.8850
H7 1.2070 -0.9106 0.8859   0.9584 -1.1695 0.8859
H8 1.2070 -0.9106 -0.8859   0.9584 -1.1695 -0.8859
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5084 1.8979 2.6862 1.0861 1.0861 2.1542 2.1542
C2 1.5084 2.7765 1.7789 2.1516 2.1516 1.0864 1.0864
Br3 1.8979 2.7765 4.4047 2.4674 2.4674 2.9641 2.9641
Cl4 2.6862 1.7789 4.4047 2.8926 2.8926 2.3518 2.3518
H5 1.0861 2.1516 2.4674 2.8926 1.7700 2.4937 3.0585
H6 1.0861 2.1516 2.4674 2.8926 1.7700 3.0585 2.4937
H7 2.1542 1.0864 2.9641 2.3518 2.4937 3.0585 1.7719
H8 2.1542 1.0864 2.9641 2.3518 3.0585 2.4937 1.7719
Maximum atom distance is 4.4047Å 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 109.327 C2 C1 Br3 108.660
C2 C1 Cl4 38.675
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.196 C1 C2 H8 111.196
C2 C1 H6 111.005 Br3 C1 H5 108.480
Br3 C1 H6 108.480 Cl4 C2 H7 107.870
Cl4 C2 H8 107.870 H5 C1 H6 109.140
H7 C2 H8 109.266

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