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Geometry for CH2BrI (bromoiodomethane) 1A' CS

1910171554
InChI=1S/CH2BrI/c2-1-3/h1H2 INChIKey=TUDWMIUPYRKEFN-UHFFFAOYSA-N

HF/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 1.1011 0.0000   -0.4334 -1.0122 0.0000
Br2 1.9375 0.7053 0.0000   -2.0587 0.1143 0.0000
I3 -1.2714 -0.6531 0.0000   1.4258 0.0999 0.0000
H4 -0.2142 1.6605 0.8885   -0.4567 -1.6107 0.8885
H5 -0.2142 1.6605 -0.8885   -0.4567 -1.6107 -0.8885
Atom - Atom Distances (Å)
  C1 Br2 I3 H4 H5
C1 1.9775 2.1665 1.0715 1.0715
Br2 1.9775 3.4846 2.5163 2.5163
I3 2.1665 3.4846 2.6944 2.6944
H4 1.0715 2.5163 2.6944 1.7769
H5 1.0715 2.5163 2.6944 1.7769
Maximum atom distance is 3.4846Å between atoms Br2 and I3.
picture of bromoiodomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 I3 114.390
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H4 107.479 Br2 C1 H5 107.479
I3 C1 H4 107.780 I3 C1 H5 107.780
H4 C1 H5 112.026

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