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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

B3LYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6327 0.0000   -0.1636 -0.6111 0.0000
C2 1.2350 -0.3137 0.0000   -1.1119 0.6224 0.0000
Br3 -1.6433 -0.4042 0.0000   1.6920 -0.0346 0.0000
Cl4 2.7970 0.6812 0.0000   -2.8780 0.0655 0.0000
H5 0.0205 1.2772 0.8966   -0.3502 -1.2285 0.8966
H6 0.0205 1.2772 -0.8966   -0.3502 -1.2285 -0.8966
H7 1.2581 -0.9505 0.9036   -0.9695 1.2436 0.9036
H8 1.2581 -0.9505 -0.9036   -0.9695 1.2436 -0.9036
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5559 1.9431 2.7974 1.1045 1.1045 2.2149 2.2149
C2 1.5559 2.8798 1.8519 2.1932 2.1932 1.1057 1.1057
Br3 1.9431 2.8798 4.5711 2.5297 2.5297 3.0876 3.0876
Cl4 2.7974 1.8519 4.5711 2.9780 2.9780 2.4181 2.4181
H5 1.1045 2.1932 2.5297 2.9780 1.7932 2.5485 3.1202
H6 1.1045 2.1932 2.5297 2.9780 1.7932 3.1202 2.5485
H7 2.2149 1.1057 3.0876 2.4181 2.5485 3.1202 1.8072
H8 2.2149 1.1057 3.0876 2.4181 3.1202 2.5485 1.8072
Maximum atom distance is 4.5711Å 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 110.046 C2 C1 Br3 110.289
C2 C1 Cl4 38.454
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.524 C1 C2 H8 111.524
C2 C1 H6 109.891 Br3 C1 H5 109.095
Br3 C1 H6 109.095 Cl4 C2 H7 106.965
Cl4 C2 H8 106.965 H5 C1 H6 108.548
H7 C2 H8 109.614

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