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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=

MP2/CEP-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 -3.2884   -3.2884 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1599   -1.1599 0.0000 0.0000
Br3 0.0000 0.0000 1.2768   1.2768 0.0000 0.0000
H4 0.0000 1.0432 -3.6796   -3.6796 0.6678 0.8014
H5 0.9035 -0.5216 -3.6796   -3.6796 0.3601 -0.9791
H6 -0.9035 -0.5216 -3.6796   -3.6796 -1.0280 0.1777
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.1285 4.5652 1.1141 1.1141 1.1141
Mg2 2.1285 2.4367 2.7271 2.7271 2.7271
Br3 4.5652 2.4367 5.0650 5.0650 5.0650
H4 1.1141 2.7271 5.0650 1.8069 1.8069
H5 1.1141 2.7271 5.0650 1.8069 1.8069
H6 1.1141 2.7271 5.0650 1.8069 1.8069
Maximum atom distance is 5.0650Å between atoms Br3 and H5.
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 110.554 Mg2 C1 H5 110.554
Mg2 C1 H6 110.554 H4 C1 H5 108.367
H4 C1 H6 108.367 H5 C1 H6 108.367

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