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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=

MP3/6-311+G(3df,2p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.1959   -3.1959 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1173   -1.1173 0.0000 0.0000
Br3 0.0000 0.0000 1.2393   1.2393 0.0000 0.0000
H4 0.0000 1.0150 -3.5976   -3.5976 1.0150 0.0000
H5 0.8790 -0.5075 -3.5976   -3.5976 -0.5075 0.8790
H6 -0.8790 -0.5075 -3.5976   -3.5976 -0.5075 -0.8790
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0785 4.4352 1.0916 1.0916 1.0916
Mg2 2.0785 2.3567 2.6799 2.6799 2.6799
Br3 4.4352 2.3567 4.9422 4.9422 4.9422
H4 1.0916 2.6799 4.9422 1.7581 1.7581
H5 1.0916 2.6799 4.9422 1.7581 1.7581
H6 1.0916 2.6799 4.9422 1.7581 1.7581
Maximum atom distance is 4.9422Å 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 111.590 Mg2 C1 H5 111.590
Mg2 C1 H6 111.590 H4 C1 H5 107.272
H4 C1 H6 107.272 H5 C1 H6 107.272

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