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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/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.2117   -3.2117 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1177   -1.1177 0.0000 0.0000
Br3 0.0000 0.0000 1.2441   1.2441 0.0000 0.0000
H4 0.0000 1.0301 -3.6198   -3.6198 0.3826 0.9565
H5 0.8921 -0.5151 -3.6198   -3.6198 0.6370 -0.8095
H6 -0.8921 -0.5151 -3.6198   -3.6198 -1.0196 -0.1469
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0941 4.4558 1.1080 1.1080 1.1080
Mg2 2.0941 2.3617 2.7059 2.7059 2.7059
Br3 4.4558 2.3617 4.9718 4.9718 4.9718
H4 1.1080 2.7059 4.9718 1.7842 1.7842
H5 1.1080 2.7059 4.9718 1.7842 1.7842
H6 1.1080 2.7059 4.9718 1.7842 1.7842
Maximum atom distance is 4.9718Å 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 111.612 Mg2 C1 H5 111.612
Mg2 C1 H6 111.612 H4 C1 H5 107.249
H4 C1 H6 107.249 H5 C1 H6 107.249

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