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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/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1833   0.1833 0.0000 0.0000
O2 -1.2486 0.0000 0.9088   0.9088 -1.2486 0.0000
O3 1.2486 0.0000 0.9088   0.9088 1.2486 0.0000
C4 0.0000 1.4102 -0.9072   -0.9072 0.0000 1.4102
C5 0.0000 -1.4102 -0.9072   -0.9072 0.0000 -1.4102
H6 0.0000 2.2815 -0.2675   -0.2675 0.0000 2.2815
H7 0.0000 -2.2815 -0.2675   -0.2675 0.0000 -2.2815
H8 0.8937 1.3933 -1.5134   -1.5134 0.8937 1.3933
H9 -0.8937 1.3933 -1.5134   -1.5134 -0.8937 1.3933
H10 -0.8937 -1.3933 -1.5134   -1.5134 -0.8937 -1.3933
H11 0.8937 -1.3933 -1.5134   -1.5134 0.8937 -1.3933
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4441 1.4441 1.7826 1.7826 2.3256 2.3256 2.3704 2.3704 2.3704 2.3704
O2 1.4441 2.4972 2.6164 2.6164 2.8545 2.8545 3.5211 2.8168 2.8168 3.5211
O3 1.4441 2.4972 2.6164 2.6164 2.8545 2.8545 2.8168 3.5211 3.5211 2.8168
C4 1.7826 2.6164 2.6164 2.8204 1.0809 3.7468 1.0801 1.0801 3.0043 3.0043
C5 1.7826 2.6164 2.6164 2.8204 3.7468 1.0809 3.0043 3.0043 1.0801 1.0801
H6 2.3256 2.8545 2.8545 1.0809 3.7468 4.5631 1.7720 1.7720 3.9819 3.9819
H7 2.3256 2.8545 2.8545 3.7468 1.0809 4.5631 3.9819 3.9819 1.7720 1.7720
H8 2.3704 3.5211 2.8168 1.0801 3.0043 1.7720 3.9819 1.7874 3.3106 2.7866
H9 2.3704 2.8168 3.5211 1.0801 3.0043 1.7720 3.9819 1.7874 2.7866 3.3106
H10 2.3704 2.8168 3.5211 3.0043 1.0801 3.9819 1.7720 3.3106 2.7866 1.7874
H11 2.3704 3.5211 2.8168 3.0043 1.0801 3.9819 1.7720 2.7866 3.3106 1.7874
Maximum atom distance is 4.5631Å 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 119.679 O2 S1 C4 107.899
O2 S1 C5 107.899 O3 S1 C4 107.899
O3 S1 C5 107.899 C4 S1 C5 104.573
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 106.002 S1 C4 H8 109.326
S1 C4 H9 109.326 S1 C5 H7 106.002
S1 C5 H10 109.326 S1 C5 H11 109.326
H6 C4 H8 110.170 H6 C4 H9 110.170
H7 C5 H10 110.170 H7 C5 H11 110.170
H8 C4 H9 111.679 H10 C5 H11 111.679

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