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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=FULL/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 -3.2090   0.0000 -3.2090 0.0000
Mg2 0.0000 0.0000 -1.1161   0.0000 -1.1161 0.0000
Br3 0.0000 0.0000 1.2428   0.0000 1.2428 0.0000
H4 0.0000 1.0290 -3.6167   1.0290 -3.6167 0.0000
H5 0.8911 -0.5145 -3.6167   -0.5145 -3.6167 0.8911
H6 -0.8911 -0.5145 -3.6167   -0.5145 -3.6167 -0.8911
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0929 4.4518 1.1068 1.1068 1.1068
Mg2 2.0929 2.3589 2.7040 2.7040 2.7040
Br3 4.4518 2.3589 4.9673 4.9673 4.9673
H4 1.1068 2.7040 4.9673 1.7822 1.7822
H5 1.1068 2.7040 4.9673 1.7822 1.7822
H6 1.1068 2.7040 4.9673 1.7822 1.7822
Maximum atom distance is 4.9673Å 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 111.617 Mg2 C1 H5 111.617
Mg2 C1 H6 111.617 H4 C1 H5 107.243
H4 C1 H6 107.243 H5 C1 H6 107.243

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