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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=

HF/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2033   -3.2033 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1174   -1.1174 0.0000 0.0000
Br3 0.0000 0.0000 1.2408   1.2408 0.0000 0.0000
H4 0.0000 1.0115 -3.5999   -3.5999 0.3551 0.9471
H5 0.8760 -0.5057 -3.5999   -3.5999 0.6426 -0.7811
H6 -0.8760 -0.5057 -3.5999   -3.5999 -0.9978 -0.1660
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0859 4.4442 1.0864 1.0864 1.0864
Mg2 2.0859 2.3582 2.6806 2.6806 2.6806
Br3 4.4442 2.3582 4.9453 4.9453 4.9453
H4 1.0864 2.6806 4.9453 1.7519 1.7519
H5 1.0864 2.6806 4.9453 1.7519 1.7519
H6 1.0864 2.6806 4.9453 1.7519 1.7519
Maximum atom distance is 4.9453Å 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 111.408 Mg2 C1 H5 111.408
Mg2 C1 H6 111.408 H4 C1 H5 107.467
H4 C1 H6 107.467 H5 C1 H6 107.467

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