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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

B2PLYP=FULLultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6440 0.0000   0.1814 0.6179 0.0000
C2 1.2396 -0.2255 0.0000   1.1259 -0.5656 0.0000
Br3 -1.5971 -0.5011 0.0000   -1.6736 -0.0309 0.0000
Cl4 2.7057 0.8353 0.0000   2.8314 0.0393 0.0000
H5 -0.0610 1.2696 0.8975   0.2991 1.2353 0.8975
H6 -0.0610 1.2696 -0.8975   0.2991 1.2353 -0.8975
H7 1.2932 -0.8551 0.8959   0.9999 -1.1848 0.8959
H8 1.2932 -0.8551 -0.8959   0.9999 -1.1848 -0.8959
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5142 1.9652 2.7124 1.0957 1.0957 2.1731 2.1731
C2 1.5142 2.8501 1.8096 2.1754 2.1754 1.0963 1.0963
Br3 1.9652 2.8501 4.5055 2.5101 2.5101 3.0466 3.0466
Cl4 2.7124 1.8096 4.5055 2.9408 2.9408 2.3781 2.3781
H5 1.0957 2.1754 2.5101 2.9408 1.7950 2.5196 3.0927
H6 1.0957 2.1754 2.5101 2.9408 1.7950 3.0927 2.5196
H7 2.1731 1.0963 3.0466 2.3781 2.5196 3.0927 1.7918
H8 2.1731 1.0963 3.0466 2.3781 3.0927 2.5196 1.7918
Maximum atom distance is 4.5055Å 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 109.062 C2 C1 Br3 109.313
C2 C1 Cl4 39.092
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.702 C1 C2 H8 111.702
C2 C1 H6 111.928 Br3 C1 H5 106.705
Br3 C1 H6 106.705 Cl4 C2 H7 107.283
Cl4 C2 H8 107.283 H5 C1 H6 109.990
H7 C2 H8 109.609

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