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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

QCISD/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6350 0.0000   -0.1766 -0.6100 0.0000
C2 1.2506 -0.2183 0.0000   -1.1406 0.5575 0.0000
Br3 -1.5896 -0.5122 0.0000   1.6693 0.0500 0.0000
Cl4 2.6856 0.8591 0.0000   -2.8186 -0.0785 0.0000
H5 -0.0639 1.2544 0.8897   -0.2874 -1.2227 0.8897
H6 -0.0639 1.2544 -0.8897   -0.2874 -1.2227 -0.8897
H7 1.3024 -0.8428 0.8878   -1.0167 1.1717 0.8878
H8 1.3024 -0.8428 -0.8878   -1.0167 1.1717 -0.8878
Atom - Atom Distances (Å)
  C1 C2 Br3 Cl4 H5 H6 H7 H8
C1 1.5140 1.9603 2.6949 1.0860 1.0860 2.1607 2.1607
C2 1.5140 2.8554 1.7945 2.1653 2.1653 1.0867 1.0867
Br3 1.9603 2.8554 4.4898 2.4981 2.4981 3.0432 3.0432
Cl4 2.6949 1.7945 4.4898 2.9168 2.9168 2.3660 2.3660
H5 1.0860 2.1653 2.4981 2.9168 1.7794 2.5031 3.0700
H6 1.0860 2.1653 2.4981 2.9168 1.7794 3.0700 2.5031
H7 2.1607 1.0867 3.0432 2.3660 2.5031 3.0700 1.7757
H8 2.1607 1.0867 3.0432 2.3660 3.0700 2.5031 1.7757
Maximum atom distance is 4.4898Å 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 108.792 C2 C1 Br3 109.874
C2 C1 Cl4 39.078
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.302 C1 C2 H8 111.302
C2 C1 H6 111.722 Br3 C1 H5 106.624
Br3 C1 H6 106.624 Cl4 C2 H7 107.872
Cl4 C2 H8 107.872 H5 C1 H6 110.022
H7 C2 H8 109.573

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