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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=

HF/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 -3.2179   -3.2179 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1427   -1.1427 0.0000 0.0000
Br3 0.0000 0.0000 1.2529   1.2529 0.0000 0.0000
H4 0.0000 1.0145 -3.6107   -3.6107 1.0145 0.0000
H5 0.8786 -0.5072 -3.6107   -3.6107 -0.5072 0.8786
H6 -0.8786 -0.5072 -3.6107   -3.6107 -0.5072 -0.8786
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0752 4.4708 1.0879 1.0879 1.0879
Mg2 2.0752 2.3955 2.6684 2.6684 2.6684
Br3 4.4708 2.3955 4.9682 4.9682 4.9682
H4 1.0879 2.6684 4.9682 1.7571 1.7571
H5 1.0879 2.6684 4.9682 1.7571 1.7571
H6 1.0879 2.6684 4.9682 1.7571 1.7571
Maximum atom distance is 4.9682Å 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 111.166 Mg2 C1 H5 111.166
Mg2 C1 H6 111.166 H4 C1 H5 107.724
H4 C1 H6 107.724 H5 C1 H6 107.724

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