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

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

MP3=FULL/6-31G*


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 1.9299   0.0000 1.9299 0.0000
C3 0.0000 0.0000 -1.9299   0.0000 -1.9299 0.0000
H4 0.0000 1.0162 2.3361   1.0162 2.3361 0.0000
H5 0.0000 1.0162 -2.3361   1.0162 -2.3361 0.0000
H6 -0.8800 -0.5081 2.3361   -0.5081 2.3361 -0.8800
H7 0.8800 -0.5081 2.3361   -0.5081 2.3361 0.8800
H8 0.8800 -0.5081 -2.3361   -0.5081 -2.3361 0.8800
H9 -0.8800 -0.5081 -2.3361   -0.5081 -2.3361 -0.8800
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 1.9299 1.9299 2.5475 2.5475 2.5475 2.5475 2.5475 2.5475
C2 1.9299 3.8599 1.0943 4.3854 1.0943 1.0943 4.3854 4.3854
C3 1.9299 3.8599 4.3854 1.0943 4.3854 4.3854 1.0943 1.0943
H4 2.5475 1.0943 4.3854 4.6722 1.7601 1.7601 4.9927 4.9927
H5 2.5475 4.3854 1.0943 4.6722 4.9927 4.9927 1.7601 1.7601
H6 2.5475 1.0943 4.3854 1.7601 4.9927 1.7601 4.9927 4.6722
H7 2.5475 1.0943 4.3854 1.7601 4.9927 1.7601 4.6722 4.9927
H8 2.5475 4.3854 1.0943 4.9927 1.7601 4.9927 4.6722 1.7601
H9 2.5475 4.3854 1.0943 4.9927 1.7601 4.6722 4.9927 1.7601
Maximum atom distance is 4.9927Å 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 111.785 Zn1 C2 H6 111.785
Zn1 C2 H7 111.785 Zn1 C3 H5 111.785
Zn1 C3 H8 111.785 Zn1 C3 H9 111.785
H4 C2 H6 107.061 H4 C2 H7 107.061
H5 C3 H8 107.061 H5 C3 H9 107.061
H6 C2 H7 107.061 H8 C3 H9 107.061

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