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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=

HSEh1PBE/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.0119   -3.0119 0.0000 0.0000
Mg2 0.0000 0.0000 -1.0471   -1.0471 0.0000 0.0000
Br3 0.0000 0.0000 1.1694   1.1694 0.0000 0.0000
H4 0.0000 1.0128 -3.4303   -3.4303 1.0128 0.0000
H5 0.8771 -0.5064 -3.4303   -3.4303 -0.5064 0.8771
H6 -0.8771 -0.5064 -3.4303   -3.4303 -0.5064 -0.8771
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 1.9647 4.1812 1.0958 1.0958 1.0958
Mg2 1.9647 2.2165 2.5895 2.5895 2.5895
Br3 4.1812 2.2165 4.7098 4.7098 4.7098
H4 1.0958 2.5895 4.7098 1.7542 1.7542
H5 1.0958 2.5895 4.7098 1.7542 1.7542
H6 1.0958 2.5895 4.7098 1.7542 1.7542
Maximum atom distance is 4.7098Å 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 112.447 Mg2 C1 H5 112.447
Mg2 C1 H6 112.447 H4 C1 H5 106.338
H4 C1 H6 106.338 H5 C1 H6 106.338

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