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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=

BLYP/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2083   0.0000 3.2083 -0.0000
Mg2 0.0000 0.0000 -1.1148   0.0000 1.1148 -0.0000
Br3 0.0000 0.0000 1.2416   0.0000 -1.2416 0.0000
H4 0.0000 1.0282 -3.6096   1.0282 3.6096 -0.0000
H5 0.8904 -0.5141 -3.6096   -0.5141 3.6096 -0.8904
H6 -0.8904 -0.5141 -3.6096   -0.5141 3.6096 0.8904
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0935 4.4499 1.1037 1.1037 1.1037
Mg2 2.0935 2.3564 2.6983 2.6983 2.6983
Br3 4.4499 2.3564 4.9589 4.9589 4.9589
H4 1.1037 2.6983 4.9589 1.7808 1.7808
H5 1.1037 2.6983 4.9589 1.7808 1.7808
H6 1.1037 2.6983 4.9589 1.7808 1.7808
Maximum atom distance is 4.9589Å 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 111.321 Mg2 C1 H5 111.321
Mg2 C1 H6 111.321 H4 C1 H5 107.560
H4 C1 H6 107.560 H5 C1 H6 107.560

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