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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=

wB97X-D/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.1899   -3.1899 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1161   -1.1161 0.0000 0.0000
Br3 0.0000 0.0000 1.2376   1.2376 0.0000 0.0000
H4 0.0000 1.0173 -3.5951   -3.5951 0.3572 0.9525
H5 0.8810 -0.5086 -3.5951   -3.5951 0.6463 -0.7856
H6 -0.8810 -0.5086 -3.5951   -3.5951 -1.0035 -0.1669
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0738 4.4275 1.0950 1.0950 1.0950
Mg2 2.0738 2.3537 2.6796 2.6796 2.6796
Br3 4.4275 2.3537 4.9387 4.9387 4.9387
H4 1.0950 2.6796 4.9387 1.7620 1.7620
H5 1.0950 2.6796 4.9387 1.7620 1.7620
H6 1.0950 2.6796 4.9387 1.7620 1.7620
Maximum atom distance is 4.9387Å 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 111.718 Mg2 C1 H5 111.718
Mg2 C1 H6 111.718 H4 C1 H5 107.134
H4 C1 H6 107.134 H5 C1 H6 107.134

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