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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

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Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1884   0.1884 0.0000 0.0000
O2 -1.2532 0.0000 0.9100   0.9100 -1.2532 0.0000
O3 1.2532 0.0000 0.9100   0.9100 1.2532 0.0000
C4 0.0000 1.4039 -0.9128   -0.9128 0.0000 1.4039
C5 0.0000 -1.4039 -0.9128   -0.9128 0.0000 -1.4039
H6 0.0000 2.2795 -0.2676   -0.2676 0.0000 2.2795
H7 0.0000 -2.2795 -0.2676   -0.2676 0.0000 -2.2795
H8 0.9003 1.3839 -1.5210   -1.5210 0.9003 1.3839
H9 -0.9003 1.3839 -1.5210   -1.5210 -0.9003 1.3839
H10 -0.9003 -1.3839 -1.5210   -1.5210 -0.9003 -1.3839
H11 0.9003 -1.3839 -1.5210   -1.5210 0.9003 -1.3839
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4461 1.4461 1.7842 1.7842 2.3246 2.3246 2.3765 2.3765 2.3765 2.3765
O2 1.4461 2.5063 2.6199 2.6199 2.8554 2.8554 3.5302 2.8194 2.8194 3.5302
O3 1.4461 2.5063 2.6199 2.6199 2.8554 2.8554 2.8194 3.5302 3.5302 2.8194
C4 1.7842 2.6199 2.6199 2.8077 1.0876 3.7394 1.0867 1.0867 2.9920 2.9920
C5 1.7842 2.6199 2.6199 2.8077 3.7394 1.0876 2.9920 2.9920 1.0867 1.0867
H6 2.3246 2.8554 2.8554 1.0876 3.7394 4.5590 1.7843 1.7843 3.9752 3.9752
H7 2.3246 2.8554 2.8554 3.7394 1.0876 4.5590 3.9752 3.9752 1.7843 1.7843
H8 2.3765 3.5302 2.8194 1.0867 2.9920 1.7843 3.9752 1.8007 3.3020 2.7678
H9 2.3765 2.8194 3.5302 1.0867 2.9920 1.7843 3.9752 1.8007 2.7678 3.3020
H10 2.3765 2.8194 3.5302 2.9920 1.0867 3.9752 1.7843 3.3020 2.7678 1.8007
H11 2.3765 3.5302 2.8194 2.9920 1.0867 3.9752 1.7843 2.7678 3.3020 1.8007
Maximum atom distance is 4.5590Å 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 120.131 O2 S1 C4 107.937
O2 S1 C5 107.937 O3 S1 C4 107.937
O3 S1 C5 107.937 C4 S1 C5 103.781
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.506 S1 C4 H8 109.327
S1 C4 H9 109.327 S1 C5 H7 105.506
S1 C5 H10 109.327 S1 C5 H11 109.327
H6 C4 H8 110.292 H6 C4 H9 110.292
H7 C5 H10 110.292 H7 C5 H11 110.292
H8 C4 H9 111.890 H10 C5 H11 111.890

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