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Geometry for Zn(CH3)2 (dimethyl zinc) 1A1' D3H

1910171554
InChI=1S/2CH3.Zn/h2*1H3; INChIKey=AXAZMDOAUQTMOW-UHFFFAOYSA-N

B3LYP/LANL2DZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Zn1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 0.0000 2.0238   0.0000 2.0238 0.0000
C3 0.0000 0.0000 -2.0238   0.0000 -2.0238 0.0000
H4 0.0000 1.0279 2.4151   1.0279 2.4151 0.0000
H5 0.0000 1.0279 -2.4151   1.0279 -2.4151 0.0000
H6 -0.8902 -0.5140 2.4151   -0.5140 2.4151 -0.8902
H7 0.8902 -0.5140 2.4151   -0.5140 2.4151 0.8902
H8 0.8902 -0.5140 -2.4151   -0.5140 -2.4151 0.8902
H9 -0.8902 -0.5140 -2.4151   -0.5140 -2.4151 -0.8902
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 2.0238 2.0238 2.6247 2.6247 2.6247 2.6247 2.6247 2.6247
C2 2.0238 4.0477 1.0999 4.5564 1.0999 1.0999 4.5564 4.5564
C3 2.0238 4.0477 4.5564 1.0999 4.5564 4.5564 1.0999 1.0999
H4 2.6247 1.0999 4.5564 4.8302 1.7804 1.7804 5.1478 5.1478
H5 2.6247 4.5564 1.0999 4.8302 5.1478 5.1478 1.7804 1.7804
H6 2.6247 1.0999 4.5564 1.7804 5.1478 1.7804 5.1478 4.8302
H7 2.6247 1.0999 4.5564 1.7804 5.1478 1.7804 4.8302 5.1478
H8 2.6247 4.5564 1.0999 5.1478 1.7804 5.1478 4.8302 1.7804
H9 2.6247 4.5564 1.0999 5.1478 1.7804 4.8302 5.1478 1.7804
Maximum atom distance is 5.1478Å between atoms H6 and H8.
picture of dimethyl zinc
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Zn1 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Zn1 C2 H4 110.837 Zn1 C2 H6 110.837
Zn1 C2 H7 110.837 Zn1 C3 H5 110.837
Zn1 C3 H8 110.837 Zn1 C3 H9 110.837
H4 C2 H6 108.071 H4 C2 H7 108.071
H5 C3 H8 108.071 H5 C3 H9 108.071
H6 C2 H7 108.071 H8 C3 H9 108.071

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