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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=

MP4/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2049   -3.2049 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1161   -1.1161 0.0000 0.0000
Br3 0.0000 0.0000 1.2413   1.2413 0.0000 0.0000
H4 0.0000 1.0227 -3.6074   -3.6074 0.6547 0.7856
H5 0.8857 -0.5113 -3.6074   -3.6074 0.3530 -0.9598
H6 -0.8857 -0.5113 -3.6074   -3.6074 -1.0077 0.1742
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0888 4.4461 1.0990 1.0990 1.0990
Mg2 2.0888 2.3574 2.6930 2.6930 2.6930
Br3 4.4461 2.3574 4.9553 4.9553 4.9553
H4 1.0990 2.6930 4.9553 1.7713 1.7713
H5 1.0990 2.6930 4.9553 1.7713 1.7713
H6 1.0990 2.6930 4.9553 1.7713 1.7713
Maximum atom distance is 4.9553Å 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 111.482 Mg2 C1 H5 111.482
Mg2 C1 H6 111.482 H4 C1 H5 107.387
H4 C1 H6 107.387 H5 C1 H6 107.387

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