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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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6607 0.0000   0.1827 0.6350 0.0000
C2 1.2304 -0.2262 0.0000   1.1198 -0.5576 0.0000
Br3 -1.5998 -0.4953 0.0000   -1.6744 -0.0336 0.0000
Cl4 2.7173 0.8165 0.0000   2.8372 0.0332 0.0000
H5 -0.0632 1.2850 0.9010   0.2946 1.2524 0.9010
H6 -0.0632 1.2850 -0.9010   0.2946 1.2524 -0.9010
H7 1.2719 -0.8600 0.8975   0.9845 -1.1782 0.8975
H8 1.2719 -0.8600 -0.8975   0.9845 -1.1782 -0.8975
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5167 1.9738 2.7218 1.0980 1.0980 2.1762 2.1762
C2 1.5167 2.8430 1.8161 2.1838 2.1838 1.0995 1.0995
Br3 1.9738 2.8430 4.5121 2.5185 2.5185 3.0308 3.0308
Cl4 2.7218 1.8161 4.5121 2.9602 2.9602 2.3886 2.3886
H5 1.0980 2.1838 2.5185 2.9602 1.8021 2.5266 3.1013
H6 1.0980 2.1838 2.5185 2.9602 1.8021 3.1013 2.5266
H7 2.1762 1.0995 3.0308 2.3886 2.5266 3.1013 1.7949
H8 2.1762 1.0995 3.0308 2.3886 3.1013 2.5266 1.7949
Maximum atom distance is 4.5121Å 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 109.177 C2 C1 Br3 108.362
C2 C1 Cl4 39.066
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.578 C1 C2 H8 111.578
C2 C1 H6 112.282 Br3 C1 H5 106.639
Br3 C1 H6 106.639 Cl4 C2 H7 107.457
Cl4 C2 H8 107.457 H5 C1 H6 110.295
H7 C2 H8 109.420

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