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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=

TPSSh/6-31+G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.1995   0.0000 3.1995 0.0000
Mg2 0.0000 0.0000 -1.1143   0.0000 1.1143 0.0000
Br3 0.0000 0.0000 1.2393   0.0000 -1.2393 -0.0000
H4 0.0000 1.0210 -3.6019   1.0210 3.6019 0.0000
H5 0.8842 -0.5105 -3.6019   -0.5105 3.6019 -0.8842
H6 -0.8842 -0.5105 -3.6019   -0.5105 3.6019 0.8842
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0852 4.4387 1.0974 1.0974 1.0974
Mg2 2.0852 2.3535 2.6890 2.6890 2.6890
Br3 4.4387 2.3535 4.9477 4.9477 4.9477
H4 1.0974 2.6890 4.9477 1.7683 1.7683
H5 1.0974 2.6890 4.9477 1.7683 1.7683
H6 1.0974 2.6890 4.9477 1.7683 1.7683
Maximum atom distance is 4.9477Å 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 111.513 Mg2 C1 H5 111.513
Mg2 C1 H6 111.513 H4 C1 H5 107.354
H4 C1 H6 107.354 H5 C1 H6 107.354

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