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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/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 -3.1876   -3.1876 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1072   -1.1072 0.0000 0.0000
Br3 0.0000 0.0000 1.2335   1.2335 0.0000 0.0000
H4 0.0000 1.0192 -3.5872   -3.5872 0.2472 0.9888
H5 0.8827 -0.5096 -3.5872   -3.5872 0.7327 -0.7085
H6 -0.8827 -0.5096 -3.5872   -3.5872 -0.9799 -0.2803
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0804 4.4211 1.0948 1.0948 1.0948
Mg2 2.0804 2.3407 2.6813 2.6813 2.6813
Br3 4.4211 2.3407 4.9273 4.9273 4.9273
H4 1.0948 2.6813 4.9273 1.7654 1.7654
H5 1.0948 2.6813 4.9273 1.7654 1.7654
H6 1.0948 2.6813 4.9273 1.7654 1.7654
Maximum atom distance is 4.9273Å 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 111.409 Mg2 C1 H5 111.409
Mg2 C1 H6 111.409 H4 C1 H5 107.466
H4 C1 H6 107.466 H5 C1 H6 107.466

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