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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

B2PLYP=FULL/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 0.1921   0.1921 0.0000 0.0000
O2 -1.2788 0.0000 0.9163   0.9163 -1.2788 0.0000
O3 1.2788 0.0000 0.9163   0.9163 1.2788 0.0000
C4 0.0000 1.4110 -0.9200   -0.9200 0.0000 1.4110
C5 0.0000 -1.4110 -0.9200   -0.9200 0.0000 -1.4110
H6 0.0000 2.2938 -0.2834   -0.2834 0.0000 2.2938
H7 0.0000 -2.2938 -0.2834   -0.2834 0.0000 -2.2938
H8 0.8992 1.3931 -1.5322   -1.5322 0.8992 1.3931
H9 -0.8992 1.3931 -1.5322   -1.5322 -0.8992 1.3931
H10 -0.8992 -1.3931 -1.5322   -1.5322 -0.8992 -1.3931
H11 0.8992 -1.3931 -1.5322   -1.5322 0.8992 -1.3931
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4696 1.4696 1.7965 1.7965 2.3426 2.3426 2.3922 2.3922 2.3922 2.3922
O2 1.4696 2.5575 2.6454 2.6454 2.8873 2.8873 3.5608 2.8425 2.8425 3.5608
O3 1.4696 2.5575 2.6454 2.6454 2.8873 2.8873 2.8425 3.5608 3.5608 2.8425
C4 1.7965 2.6454 2.6454 2.8219 1.0884 3.7591 1.0880 1.0880 3.0077 3.0077
C5 1.7965 2.6454 2.6454 2.8219 3.7591 1.0884 3.0077 3.0077 1.0880 1.0880
H6 2.3426 2.8873 2.8873 1.0884 3.7591 4.5877 1.7831 1.7831 3.9952 3.9952
H7 2.3426 2.8873 2.8873 3.7591 1.0884 4.5877 3.9952 3.9952 1.7831 1.7831
H8 2.3922 3.5608 2.8425 1.0880 3.0077 1.7831 3.9952 1.7985 3.3162 2.7861
H9 2.3922 2.8425 3.5608 1.0880 3.0077 1.7831 3.9952 1.7985 2.7861 3.3162
H10 2.3922 2.8425 3.5608 3.0077 1.0880 3.9952 1.7831 3.3162 2.7861 1.7985
H11 2.3922 3.5608 2.8425 3.0077 1.0880 3.9952 1.7831 2.7861 3.3162 1.7985
Maximum atom distance is 4.5877Å 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 120.951 O2 S1 C4 107.761
O2 S1 C5 107.761 O3 S1 C4 107.761
O3 S1 C5 107.761 C4 S1 C5 103.512
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.962 S1 C4 H8 109.596
S1 C4 H9 109.596 S1 C5 H7 105.962
S1 C5 H10 109.596 S1 C5 H11 109.596
H6 C4 H8 110.026 H6 C4 H9 110.026
H7 C5 H10 110.026 H7 C5 H11 110.026
H8 C4 H9 111.484 H10 C5 H11 111.484

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