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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/6-31+G**


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 1.9542   1.9542 0.0000 0.0000
C3 0.0000 0.0000 -1.9542   -1.9542 0.0000 0.0000
H4 0.0000 1.0162 2.3473   2.3473 -0.1573 1.0039
H5 0.0000 1.0162 -2.3473   -2.3473 -0.1573 1.0039
H6 -0.8800 -0.5081 2.3473   2.3473 -0.7908 -0.6382
H7 0.8800 -0.5081 2.3473   2.3473 0.9481 -0.3657
H8 0.8800 -0.5081 -2.3473   -2.3473 0.9481 -0.3657
H9 -0.8800 -0.5081 -2.3473   -2.3473 -0.7908 -0.6382
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 1.9542 1.9542 2.5578 2.5578 2.5578 2.5578 2.5578 2.5578
C2 1.9542 3.9083 1.0896 4.4199 1.0896 1.0896 4.4199 4.4199
C3 1.9542 3.9083 4.4199 1.0896 4.4199 4.4199 1.0896 1.0896
H4 2.5578 1.0896 4.4199 4.6946 1.7601 1.7601 5.0137 5.0137
H5 2.5578 4.4199 1.0896 4.6946 5.0137 5.0137 1.7601 1.7601
H6 2.5578 1.0896 4.4199 1.7601 5.0137 1.7601 5.0137 4.6946
H7 2.5578 1.0896 4.4199 1.7601 5.0137 1.7601 4.6946 5.0137
H8 2.5578 4.4199 1.0896 5.0137 1.7601 5.0137 4.6946 1.7601
H9 2.5578 4.4199 1.0896 5.0137 1.7601 4.6946 5.0137 1.7601
Maximum atom distance is 5.0137Å between atoms H4 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 111.151 Zn1 C2 H6 111.151
Zn1 C2 H7 111.151 Zn1 C3 H5 111.151
Zn1 C3 H8 111.151 Zn1 C3 H9 111.151
H4 C2 H6 107.740 H4 C2 H7 107.740
H5 C3 H8 107.740 H5 C3 H9 107.740
H6 C2 H7 107.740 H8 C3 H9 107.740

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