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Geometry for Zn(CH3)2 (dimethyl zinc) 1A1G D3D

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

BLYP/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Zn1 0.0000 0.0000 0.1549   0.0000 0.1549 0.0000
C2 0.0000 1.8372 -0.2146   1.8372 -0.2146 0.0000
C3 0.0000 -1.8372 -0.2146   -1.8372 -0.2146 0.0000
H4 0.0000 1.9230 -1.3194   1.9230 -1.3194 0.0000
H5 0.0000 -1.9230 -1.3194   -1.9230 -1.3194 0.0000
H6 -0.8857 2.3897 0.1420   2.3897 0.1420 -0.8857
H7 0.8857 2.3897 0.1420   2.3897 0.1420 0.8857
H8 0.8857 -2.3897 0.1420   -2.3897 0.1420 0.8857
H9 -0.8857 -2.3897 0.1420   -2.3897 0.1420 -0.8857
Atom - Atom Distances (Å)
  Zn1 C2 C3 H4 H5 H6 H7 H8 H9
Zn1 1.8739 1.8739 2.4231 2.4231 2.5486 2.5486 2.5486 2.5486
C2 1.8739 3.6743 1.1082 3.9191 1.1032 1.1032 4.3333 4.3333
C3 1.8739 3.6743 3.9191 1.1082 4.3333 4.3333 1.1032 1.1032
H4 2.4231 1.1082 3.9191 3.8459 1.7715 1.7715 4.6389 4.6389
H5 2.4231 3.9191 1.1082 3.8459 4.6389 4.6389 1.7715 1.7715
H6 2.5486 1.1032 4.3333 1.7715 4.6389 1.7715 5.0971 4.7793
H7 2.5486 1.1032 4.3333 1.7715 4.6389 1.7715 4.7793 5.0971
H8 2.5486 4.3333 1.1032 4.6389 1.7715 5.0971 4.7793 1.7715
H9 2.5486 4.3333 1.1032 4.6389 1.7715 4.7793 5.0971 1.7715
Maximum atom distance is 5.0971Å 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 157.257
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Zn1 C2 H4 105.812 Zn1 C2 H6 115.294
Zn1 C2 H7 115.294 Zn1 C3 H5 105.812
Zn1 C3 H8 115.294 Zn1 C3 H9 115.294
H4 C2 H6 106.471 H4 C2 H7 106.471
H5 C3 H8 106.471 H5 C3 H9 106.471
H6 C2 H7 106.817 H8 C3 H9 106.817

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