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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

M06-2X/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1851   0.1851 0.0000 0.0000
O2 -1.2557 0.0000 0.9109   0.9109 -1.2557 0.0000
O3 1.2557 0.0000 0.9109   0.9109 1.2557 0.0000
C4 0.0000 1.4020 -0.9116   -0.9116 0.0000 1.4020
C5 0.0000 -1.4020 -0.9116   -0.9116 0.0000 -1.4020
H6 0.0000 2.2754 -0.2633   -0.2633 0.0000 2.2754
H7 0.0000 -2.2754 -0.2633   -0.2633 0.0000 -2.2754
H8 0.9016 1.3778 -1.5173   -1.5173 0.9016 1.3778
H9 -0.9016 1.3778 -1.5173   -1.5173 -0.9016 1.3778
H10 -0.9016 -1.3778 -1.5173   -1.5173 -0.9016 -1.3778
H11 0.9016 -1.3778 -1.5173   -1.5173 0.9016 -1.3778
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4504 1.4504 1.7800 1.7800 2.3192 2.3192 2.3684 2.3684 2.3684 2.3684
O2 1.4504 2.5115 2.6199 2.6199 2.8518 2.8518 3.5282 2.8142 2.8142 3.5282
O3 1.4504 2.5115 2.6199 2.6199 2.8518 2.8518 2.8142 3.5282 3.5282 2.8142
C4 1.7800 2.6199 2.6199 2.8041 1.0877 3.7341 1.0864 1.0864 2.9845 2.9845
C5 1.7800 2.6199 2.6199 2.8041 3.7341 1.0877 2.9845 2.9845 1.0864 1.0864
H6 2.3192 2.8518 2.8518 1.0877 3.7341 4.5508 1.7864 1.7864 3.9662 3.9662
H7 2.3192 2.8518 2.8518 3.7341 1.0877 4.5508 3.9662 3.9662 1.7864 1.7864
H8 2.3684 3.5282 2.8142 1.0864 2.9845 1.7864 3.9662 1.8031 3.2931 2.7555
H9 2.3684 2.8142 3.5282 1.0864 2.9845 1.7864 3.9662 1.8031 2.7555 3.2931
H10 2.3684 2.8142 3.5282 2.9845 1.0864 3.9662 1.7864 3.2931 2.7555 1.8031
H11 2.3684 3.5282 2.8142 2.9845 1.0864 3.9662 1.7864 2.7555 3.2931 1.8031
Maximum atom distance is 4.5508Å 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 119.946 O2 S1 C4 107.957
O2 S1 C5 107.957 O3 S1 C4 107.957
O3 S1 C5 107.957 C4 S1 C5 103.937
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.384 S1 C4 H8 109.022
S1 C4 H9 109.022 S1 C5 H7 105.384
S1 C5 H10 109.022 S1 C5 H11 109.022
H6 C4 H8 110.502 H6 C4 H9 110.502
H7 C5 H10 110.502 H7 C5 H11 110.502
H8 C4 H9 112.163 H10 C5 H11 112.163

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