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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=

B2PLYP/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 -3.0151   -3.0151 0.0000 0.0000
Mg2 0.0000 0.0000 -1.0482   -1.0482 0.0000 0.0000
Br3 0.0000 0.0000 1.1708   1.1708 0.0000 0.0000
H4 0.0000 1.0148 -3.4362   -3.4362 0.7476 0.6862
H5 0.8788 -0.5074 -3.4362   -3.4362 -0.9680 0.3044
H6 -0.8788 -0.5074 -3.4362   -3.4362 0.2204 -0.9905
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 1.9669 4.1859 1.0987 1.0987 1.0987
Mg2 1.9669 2.2190 2.5946 2.5946 2.5946
Br3 4.1859 2.2190 4.7174 4.7174 4.7174
H4 1.0987 2.5946 4.7174 1.7576 1.7576
H5 1.0987 2.5946 4.7174 1.7576 1.7576
H6 1.0987 2.5946 4.7174 1.7576 1.7576
Maximum atom distance is 4.7174Å 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 112.535 Mg2 C1 H5 112.535
Mg2 C1 H6 112.535 H4 C1 H5 106.241
H4 C1 H6 106.241 H5 C1 H6 106.241

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