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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=

B97D3/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2187   -3.2187 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1266   -1.1266 0.0000 0.0000
Br3 0.0000 0.0000 1.2482   1.2482 0.0000 0.0000
H4 0.0000 1.0212 -3.6186   -3.6186 0.9688 -0.3229
H5 0.8844 -0.5106 -3.6186   -3.6186 -0.2047 1.0004
H6 -0.8844 -0.5106 -3.6186   -3.6186 -0.7640 -0.6775
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0920 4.4669 1.0967 1.0967 1.0967
Mg2 2.0920 2.3748 2.6931 2.6931 2.6931
Br3 4.4669 2.3748 4.9728 4.9728 4.9728
H4 1.0967 2.6931 4.9728 1.7687 1.7687
H5 1.0967 2.6931 4.9728 1.7687 1.7687
H6 1.0967 2.6931 4.9728 1.7687 1.7687
Maximum atom distance is 4.9728Å 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 111.389 Mg2 C1 H5 111.389
Mg2 C1 H6 111.389 H4 C1 H5 107.487
H4 C1 H6 107.487 H5 C1 H6 107.487

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