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Geometry for CH3MgBr (Methyl Magnesium Bromide) 1A1 C3V

1910171554
InChI=1S/CH3.BrH.Mg/h1H3;1H;/q;;+1/p-1 INChIKey=

HF/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.1963   0.0000 3.1963 0.0000
Mg2 0.0000 0.0000 -1.1064   0.0000 1.1064 0.0000
Br3 0.0000 0.0000 1.2356   0.0000 -1.2356 -0.0000
H4 0.0000 1.0113 -3.5976   1.0113 3.5976 0.0000
H5 0.8758 -0.5057 -3.5976   -0.5057 3.5976 -0.8758
H6 -0.8758 -0.5057 -3.5976   -0.5057 3.5976 0.8758
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0899 4.4319 1.0881 1.0881 1.0881
Mg2 2.0899 2.3420 2.6887 2.6887 2.6887
Br3 4.4319 2.3420 4.9380 4.9380 4.9380
H4 1.0881 2.6887 4.9380 1.7517 1.7517
H5 1.0881 2.6887 4.9380 1.7517 1.7517
H6 1.0881 2.6887 4.9380 1.7517 1.7517
Maximum atom distance is 4.9380Å between atoms Br3 and H5.
picture of Methyl Magnesium Bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 Mg2 Br3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Mg2 C1 H4 111.647 Mg2 C1 H5 111.647
Mg2 C1 H6 111.647 H4 C1 H5 107.210
H4 C1 H6 107.210 H5 C1 H6 107.210

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