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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

MP2/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1673   0.1673 0.0000 0.0000
O2 -1.4434 0.0000 0.9734   0.9734 -1.4434 0.0000
O3 1.4434 0.0000 0.9734   0.9734 1.4434 0.0000
C4 0.0000 1.5312 -0.9587   -0.9587 0.0000 1.5312
C5 0.0000 -1.5312 -0.9587   -0.9587 0.0000 -1.5312
H6 0.0000 2.3782 -0.2629   -0.2629 0.0000 2.3782
H7 0.0000 -2.3782 -0.2629   -0.2629 0.0000 -2.3782
H8 0.9190 1.4928 -1.5554   -1.5554 0.9190 1.4928
H9 -0.9190 1.4928 -1.5554   -1.5554 -0.9190 1.4928
H10 -0.9190 -1.4928 -1.5554   -1.5554 -0.9190 -1.4928
H11 0.9190 -1.4928 -1.5554   -1.5554 0.9190 -1.4928
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.6533 1.6533 1.9006 1.9006 2.4168 2.4168 2.4578 2.4578 2.4578 2.4578
O2 1.6533 2.8868 2.8567 2.8567 3.0443 3.0443 3.7689 2.9831 2.9831 3.7689
O3 1.6533 2.8868 2.8567 2.8567 3.0443 3.0443 2.9831 3.7689 3.7689 2.9831
C4 1.9006 2.8567 2.8567 3.0623 1.0962 3.9708 1.0964 1.0964 3.2164 3.2164
C5 1.9006 2.8567 2.8567 3.0623 3.9708 1.0962 3.2164 3.2164 1.0964 1.0964
H6 2.4168 3.0443 3.0443 1.0962 3.9708 4.7564 1.8163 1.8163 4.1833 4.1833
H7 2.4168 3.0443 3.0443 3.9708 1.0962 4.7564 4.1833 4.1833 1.8163 1.8163
H8 2.4578 3.7689 2.9831 1.0964 3.2164 1.8163 4.1833 1.8379 3.5060 2.9857
H9 2.4578 2.9831 3.7689 1.0964 3.2164 1.8163 4.1833 1.8379 2.9857 3.5060
H10 2.4578 2.9831 3.7689 3.2164 1.0964 4.1833 1.8163 3.5060 2.9857 1.8379
H11 2.4578 3.7689 2.9831 3.2164 1.0964 4.1833 1.8163 2.9857 3.5060 1.8379
Maximum atom distance is 4.7564Å 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 121.632 O2 S1 C4 106.790
O2 S1 C5 106.790 O3 S1 C4 106.790
O3 S1 C5 106.790 C4 S1 C5 107.343
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 104.271 S1 C4 H8 107.114
S1 C4 H9 107.114 S1 C5 H7 104.271
S1 C5 H10 107.114 S1 C5 H11 107.114
H6 C4 H8 111.869 H6 C4 H9 111.869
H7 C5 H10 111.869 H7 C5 H11 111.869
H8 C4 H9 113.895 H10 C5 H11 113.895

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