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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=

MP2/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.0113   -3.0113 0.0000 0.0000
Mg2 0.0000 0.0000 -1.0477   -1.0477 0.0000 0.0000
Br3 0.0000 0.0000 1.1701   1.1701 0.0000 0.0000
H4 0.0000 1.0169 -3.4371   -3.4371 0.3570 0.9521
H5 0.8806 -0.5084 -3.4371   -3.4371 0.6460 -0.7853
H6 -0.8806 -0.5084 -3.4371   -3.4371 -1.0031 -0.1669
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 1.9636 4.1814 1.1024 1.1024 1.1024
Mg2 1.9636 2.2178 2.5967 2.5967 2.5967
Br3 4.1814 2.2178 4.7181 4.7181 4.7181
H4 1.1024 2.5967 4.7181 1.7613 1.7613
H5 1.1024 2.5967 4.7181 1.7613 1.7613
H6 1.1024 2.5967 4.7181 1.7613 1.7613
Maximum atom distance is 4.7181Å between atoms Br3 and H4.
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 112.718 Mg2 C1 H5 112.718
Mg2 C1 H6 112.718 H4 C1 H5 106.038
H4 C1 H6 106.038 H5 C1 H6 106.038

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