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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/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1571   0.1571 0.0000 0.0000
O2 -1.4477 0.0000 0.9768   0.9768 -1.4477 0.0000
O3 1.4477 0.0000 0.9768   0.9768 1.4477 0.0000
C4 0.0000 1.4666 -0.9474   -0.9474 0.0000 1.4666
C5 0.0000 -1.4666 -0.9474   -0.9474 0.0000 -1.4666
H6 0.0000 2.3255 -0.2976   -0.2976 0.0000 2.3255
H7 0.0000 -2.3255 -0.2976   -0.2976 0.0000 -2.3255
H8 0.8953 1.4406 -1.5446   -1.5446 0.8953 1.4406
H9 -0.8953 1.4406 -1.5446   -1.5446 -0.8953 1.4406
H10 -0.8953 -1.4406 -1.5446   -1.5446 -0.8953 -1.4406
H11 0.8953 -1.4406 -1.5446   -1.5446 0.8953 -1.4406
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.6637 1.6637 1.8360 1.8360 2.3696 2.3696 2.4026 2.4026 2.4026 2.4026
O2 1.6637 2.8954 2.8194 2.8194 3.0212 3.0212 3.7313 2.9560 2.9560 3.7313
O3 1.6637 2.8954 2.8194 2.8194 3.0212 3.0212 2.9560 3.7313 3.7313 2.9560
C4 1.8360 2.8194 2.8194 2.9332 1.0770 3.8474 1.0765 1.0765 3.1000 3.1000
C5 1.8360 2.8194 2.8194 2.9332 3.8474 1.0770 3.1000 3.1000 1.0765 1.0765
H6 2.3696 3.0212 3.0212 1.0770 3.8474 4.6510 1.7719 1.7719 4.0669 4.0669
H7 2.3696 3.0212 3.0212 3.8474 1.0770 4.6510 4.0669 4.0669 1.7719 1.7719
H8 2.4026 3.7313 2.9560 1.0765 3.1000 1.7719 4.0669 1.7906 3.3922 2.8811
H9 2.4026 2.9560 3.7313 1.0765 3.1000 1.7719 4.0669 1.7906 2.8811 3.3922
H10 2.4026 2.9560 3.7313 3.1000 1.0765 4.0669 1.7719 3.3922 2.8811 1.7906
H11 2.4026 3.7313 2.9560 3.1000 1.0765 4.0669 1.7719 2.8811 3.3922 1.7906
Maximum atom distance is 4.6510Å 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 120.964 O2 S1 C4 107.241
O2 S1 C5 107.241 O3 S1 C4 107.241
O3 S1 C5 107.241 C4 S1 C5 106.034
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.909 S1 C4 H8 108.325
S1 C4 H9 108.325 S1 C5 H7 105.909
S1 C5 H10 108.325 S1 C5 H11 108.325
H6 C4 H8 110.733 H6 C4 H9 110.733
H7 C5 H10 110.733 H7 C5 H11 110.733
H8 C4 H9 112.535 H10 C5 H11 112.535

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