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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=

QCISD/daug-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 -3.1963   -3.1963 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1131   -1.1131 0.0000 0.0000
Br3 0.0000 0.0000 1.2379   1.2379 0.0000 0.0000
H4 0.0000 1.0173 -3.5974   -3.5974 1.0173 0.0000
H5 0.8810 -0.5086 -3.5974   -3.5974 -0.5086 0.8810
H6 -0.8810 -0.5086 -3.5974   -3.5974 -0.5086 -0.8810
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0832 4.4342 1.0935 1.0935 1.0935
Mg2 2.0832 2.3510 2.6845 2.6845 2.6845
Br3 4.4342 2.3510 4.9412 4.9412 4.9412
H4 1.0935 2.6845 4.9412 1.7620 1.7620
H5 1.0935 2.6845 4.9412 1.7620 1.7620
H6 1.0935 2.6845 4.9412 1.7620 1.7620
Maximum atom distance is 4.9412Å 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 111.518 Mg2 C1 H5 111.518
Mg2 C1 H6 111.518 H4 C1 H5 107.350
H4 C1 H6 107.350 H5 C1 H6 107.349

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