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Geometry for C2H6O2S (Dimethyl sulfone) 1A1 C2V

1910171554
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3 INChIKey=HHVIBTZHLRERCL-UHFFFAOYSA-N

HF/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1855   0.1855 0.0000 0.0000
O2 -1.2379 0.0000 0.9009   0.9009 -1.2379 0.0000
O3 1.2379 0.0000 0.9009   0.9009 1.2379 0.0000
C4 0.0000 1.4017 -0.9014   -0.9014 0.0000 1.4017
C5 0.0000 -1.4017 -0.9014   -0.9014 0.0000 -1.4017
H6 0.0000 2.2752 -0.2648   -0.2648 0.0000 2.2752
H7 0.0000 -2.2752 -0.2648   -0.2648 0.0000 -2.2752
H8 0.8928 1.3905 -1.5090   -1.5090 0.8928 1.3905
H9 -0.8928 1.3905 -1.5090   -1.5090 -0.8928 1.3905
H10 -0.8928 -1.3905 -1.5090   -1.5090 -0.8928 -1.3905
H11 0.8928 -1.3905 -1.5090   -1.5090 0.8928 -1.3905
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4298 1.4298 1.7737 1.7737 2.3193 2.3193 2.3668 2.3668 2.3668 2.3668
O2 1.4298 2.4759 2.5972 2.5972 2.8404 2.8404 3.5044 2.8036 2.8036 3.5044
O3 1.4298 2.4759 2.5972 2.5972 2.8404 2.8404 2.8036 3.5044 3.5044 2.8036
C4 1.7737 2.5972 2.5972 2.8034 1.0808 3.7316 1.0800 1.0800 2.9937 2.9937
C5 1.7737 2.5972 2.5972 2.8034 3.7316 1.0808 2.9937 2.9937 1.0800 1.0800
H6 2.3193 2.8404 2.8404 1.0808 3.7316 4.5503 1.7686 1.7686 3.9726 3.9726
H7 2.3193 2.8404 2.8404 3.7316 1.0808 4.5503 3.9726 3.9726 1.7686 1.7686
H8 2.3668 3.5044 2.8036 1.0800 2.9937 1.7686 3.9726 1.7856 3.3048 2.7809
H9 2.3668 2.8036 3.5044 1.0800 2.9937 1.7686 3.9726 1.7856 2.7809 3.3048
H10 2.3668 2.8036 3.5044 2.9937 1.0800 3.9726 1.7686 3.3048 2.7809 1.7856
H11 2.3668 3.5044 2.8036 2.9937 1.0800 3.9726 1.7686 2.7809 3.3048 1.7856
Maximum atom distance is 4.5503Å between atoms H6 and H7.
picture of Dimethyl sulfone
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 O3 119.951 O2 S1 C4 107.855
O2 S1 C5 107.855 O3 S1 C4 107.855
O3 S1 C5 107.855 C4 S1 C5 104.419
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 106.124 S1 C4 H8 109.665
S1 C4 H9 109.665 S1 C5 H7 106.124
S1 C5 H10 109.665 S1 C5 H11 109.665
H6 C4 H8 109.862 H6 C4 H9 109.862
H7 C5 H10 109.862 H7 C5 H11 109.862
H8 C4 H9 111.518 H10 C5 H11 111.518

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