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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=

B3LYP/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2019   0.0000 -3.2019 0.0000
Mg2 0.0000 0.0000 -1.1199   0.0000 -1.1199 0.0000
Br3 0.0000 0.0000 1.2420   0.0000 1.2420 0.0000
H4 0.0000 1.0172 -3.6067   1.0172 -3.6067 0.0000
H5 0.8809 -0.5086 -3.6067   -0.5086 -3.6067 0.8809
H6 -0.8809 -0.5086 -3.6067   -0.5086 -3.6067 -0.8809
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0820 4.4440 1.0947 1.0947 1.0947
Mg2 2.0820 2.3619 2.6867 2.6867 2.6867
Br3 4.4440 2.3619 4.9542 4.9542 4.9542
H4 1.0947 2.6867 4.9542 1.7618 1.7618
H5 1.0947 2.6867 4.9542 1.7618 1.7618
H6 1.0947 2.6867 4.9542 1.7618 1.7618
Maximum atom distance is 4.9542Å 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 111.697 Mg2 C1 H5 111.697
Mg2 C1 H6 111.697 H4 C1 H5 107.157
H4 C1 H6 107.157 H5 C1 H6 107.157

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