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

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

HF/TZVP


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 1.9992   1.9992 0.0000 0.0000
C3 0.0000 0.0000 -1.9992   -1.9992 0.0000 -0.0000
H4 0.0000 1.0118 2.3952   2.3952 -1.0118 -0.0000
H5 0.0000 1.0118 -2.3952   -2.3952 -1.0118 -0.0000
H6 -0.8763 -0.5059 2.3952   2.3952 0.5059 0.8763
H7 0.8763 -0.5059 2.3952   2.3952 0.5059 -0.8763
H8 0.8763 -0.5059 -2.3952   -2.3952 0.5059 -0.8763
H9 -0.8763 -0.5059 -2.3952   -2.3952 0.5059 0.8763
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 1.9992 1.9992 2.6001 2.6001 2.6001 2.6001 2.6001 2.6001
C2 1.9992 3.9984 1.0866 4.5094 1.0866 1.0866 4.5094 4.5094
C3 1.9992 3.9984 4.5094 1.0866 4.5094 4.5094 1.0866 1.0866
H4 2.6001 1.0866 4.5094 4.7904 1.7526 1.7526 5.1009 5.1009
H5 2.6001 4.5094 1.0866 4.7904 5.1009 5.1009 1.7526 1.7526
H6 2.6001 1.0866 4.5094 1.7526 5.1009 1.7526 5.1009 4.7904
H7 2.6001 1.0866 4.5094 1.7526 5.1009 1.7526 4.7904 5.1009
H8 2.6001 4.5094 1.0866 5.1009 1.7526 5.1009 4.7904 1.7526
H9 2.6001 4.5094 1.0866 5.1009 1.7526 4.7904 5.1009 1.7526
Maximum atom distance is 5.1009Å 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 111.373 Zn1 C2 H6 111.373
Zn1 C2 H7 111.373 Zn1 C3 H5 111.373
Zn1 C3 H8 111.373 Zn1 C3 H9 111.373
H4 C2 H6 107.505 H4 C2 H7 107.505
H5 C3 H8 107.505 H5 C3 H9 107.505
H6 C2 H7 107.505 H8 C3 H9 107.505

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