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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=

MP2/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 -3.2084   -3.2084 0.0000 0.0000
Mg2 0.0000 0.0000 -1.1181   -1.1181 0.0000 0.0000
Br3 0.0000 0.0000 1.2431   1.2431 0.0000 0.0000
H4 0.0000 1.0283 -3.6132   -3.6132 0.3819 0.9548
H5 0.8905 -0.5142 -3.6132   -3.6132 0.6359 -0.8081
H6 -0.8905 -0.5142 -3.6132   -3.6132 -1.0178 -0.1466
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 2.0903 4.4515 1.1051 1.1051 1.1051
Mg2 2.0903 2.3612 2.6987 2.6987 2.6987
Br3 4.4515 2.3612 4.9639 4.9639 4.9639
H4 1.1051 2.6987 4.9639 1.7811 1.7811
H5 1.1051 2.6987 4.9639 1.7811 1.7811
H6 1.1051 2.6987 4.9639 1.7811 1.7811
Maximum atom distance is 4.9639Å 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 111.486 Mg2 C1 H5 111.486
Mg2 C1 H6 111.486 H4 C1 H5 107.384
H4 C1 H6 107.384 H5 C1 H6 107.384

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