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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=

CCSD(T)/daug-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 -3.2285   0.0000 3.2285 0.0000
Mg2 0.0000 0.0000 -1.1261   0.0000 1.1261 0.0000
Br3 0.0000 0.0000 1.2513   0.0000 -1.2513 -0.0000
H4 0.0000 1.0306 -3.6371   1.0306 3.6371 0.0000
H5 0.8925 -0.5153 -3.6371   -0.5153 3.6371 -0.8925
H6 -0.8925 -0.5153 -3.6371   -0.5153 3.6371 0.8925
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.1024 4.4798 1.1086 1.1086 1.1086
Mg2 2.1024 2.3774 2.7143 2.7143 2.7143
Br3 4.4798 2.3774 4.9958 4.9958 4.9958
H4 1.1086 2.7143 4.9958 1.7851 1.7851
H5 1.1086 2.7143 4.9958 1.7851 1.7851
H6 1.1086 2.7143 4.9958 1.7851 1.7851
Maximum atom distance is 4.9958Å 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 111.626 Mg2 C1 H5 111.626
Mg2 C1 H6 111.626 H4 C1 H5 107.233
H4 C1 H6 107.233 H5 C1 H6 107.233

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