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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/CEP-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2491   -3.2491 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1549   -1.1549 0.0000 0.0000
Br3 0.0000 0.0000 1.2654   1.2654 0.0000 0.0000
H4 0.0000 1.0315 -3.6452   -3.6452 1.0123 -0.1983
H5 0.8933 -0.5158 -3.6452   -3.6452 -0.3344 0.9758
H6 -0.8933 -0.5158 -3.6452   -3.6452 -0.6779 -0.7775
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0943 4.5145 1.1050 1.1050 1.1050
Mg2 2.0943 2.4203 2.6956 2.6956 2.6956
Br3 4.5145 2.4203 5.0178 5.0178 5.0178
H4 1.1050 2.6956 5.0178 1.7867 1.7867
H5 1.1050 2.6956 5.0178 1.7867 1.7867
H6 1.1050 2.6956 5.0178 1.7867 1.7867
Maximum atom distance is 5.0178Å 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 111.006 Mg2 C1 H5 111.006
Mg2 C1 H6 111.006 H4 C1 H5 107.894
H4 C1 H6 107.894 H5 C1 H6 107.894

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