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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=

PBEPBEultrafine/Def2TZVPP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2008   -3.2008 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1201   -1.1201 0.0000 0.0000
Br3 0.0000 0.0000 1.2412   1.2412 0.0000 0.0000
H4 0.0000 1.0251 -3.5990   -3.5990 0.4584 0.9169
H5 0.8878 -0.5125 -3.5990   -3.5990 0.5648 -0.8554
H6 -0.8878 -0.5125 -3.5990   -3.5990 -1.0232 -0.0614
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0806 4.4420 1.0997 1.0997 1.0997
Mg2 2.0806 2.3614 2.6825 2.6825 2.6825
Br3 4.4420 2.3614 4.9476 4.9476 4.9476
H4 1.0997 2.6825 4.9476 1.7755 1.7755
H5 1.0997 2.6825 4.9476 1.7755 1.7755
H6 1.0997 2.6825 4.9476 1.7755 1.7755
Maximum atom distance is 4.9476Å 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 111.232 Mg2 C1 H5 111.232
Mg2 C1 H6 111.232 H4 C1 H5 107.655
H4 C1 H6 107.655 H5 C1 H6 107.655

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