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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/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1889   0.0000 0.1889 0.0000
O2 -1.2824 0.0000 0.9141   0.0000 0.9141 -1.2824
O3 1.2824 0.0000 0.9141   0.0000 0.9141 1.2824
C4 0.0000 1.4082 -0.9183   1.4082 -0.9183 0.0000
C5 0.0000 -1.4082 -0.9183   -1.4082 -0.9183 0.0000
H6 0.0000 2.2856 -0.2596   2.2856 -0.2596 0.0000
H7 0.0000 -2.2856 -0.2596   -2.2856 -0.2596 0.0000
H8 0.9111 1.3869 -1.5271   1.3869 -1.5271 0.9111
H9 -0.9111 1.3869 -1.5271   1.3869 -1.5271 -0.9111
H10 -0.9111 -1.3869 -1.5271   -1.3869 -1.5271 -0.9111
H11 0.9111 -1.3869 -1.5271   -1.3869 -1.5271 0.9111
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4732 1.4732 1.7914 1.7914 2.3292 2.3292 2.3870 2.3870 2.3870 2.3870
O2 1.4732 2.5647 2.6430 2.6430 2.8716 2.8716 3.5628 2.8321 2.8321 3.5628
O3 1.4732 2.5647 2.6430 2.6430 2.8716 2.8716 2.8321 3.5628 3.5628 2.8321
C4 1.7914 2.6430 2.6430 2.8165 1.0972 3.7521 1.0959 1.0959 3.0022 3.0022
C5 1.7914 2.6430 2.6430 2.8165 3.7521 1.0972 3.0022 3.0022 1.0959 1.0959
H6 2.3292 2.8716 2.8716 1.0972 3.7521 4.5713 1.8012 1.8012 3.9905 3.9905
H7 2.3292 2.8716 2.8716 3.7521 1.0972 4.5713 3.9905 3.9905 1.8012 1.8012
H8 2.3870 3.5628 2.8321 1.0959 3.0022 1.8012 3.9905 1.8221 3.3187 2.7738
H9 2.3870 2.8321 3.5628 1.0959 3.0022 1.8012 3.9905 1.8221 2.7738 3.3187
H10 2.3870 2.8321 3.5628 3.0022 1.0959 3.9905 1.8012 3.3187 2.7738 1.8221
H11 2.3870 3.5628 2.8321 3.0022 1.0959 3.9905 1.8012 2.7738 3.3187 1.8221
Maximum atom distance is 4.5713Å 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 121.019 O2 S1 C4 107.714
O2 S1 C5 107.714 O3 S1 C4 107.714
O3 S1 C5 107.714 C4 S1 C5 103.649
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 104.924 S1 C4 H8 109.148
S1 C4 H9 109.148 S1 C5 H7 104.924
S1 C5 H10 109.148 S1 C5 H11 109.148
H6 C4 H8 110.432 H6 C4 H9 110.432
H7 C5 H10 110.432 H7 C5 H11 110.432
H8 C4 H9 112.466 H10 C5 H11 112.466

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