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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

QCISD/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 0.1938   0.1938 0.0000 0.0000
O2 -1.2900 0.0000 0.9183   0.9183 -1.2900 0.0000
O3 1.2900 0.0000 0.9183   0.9183 1.2900 0.0000
C4 0.0000 1.4094 -0.9238   -0.9238 0.0000 1.4094
C5 0.0000 -1.4094 -0.9238   -0.9238 0.0000 -1.4094
H6 0.0000 2.2995 -0.2743   -0.2743 0.0000 2.2995
H7 0.0000 -2.2995 -0.2743   -0.2743 0.0000 -2.2995
H8 0.9125 1.3879 -1.5399   -1.5399 0.9125 1.3879
H9 -0.9125 1.3879 -1.5399   -1.5399 -0.9125 1.3879
H10 -0.9125 -1.3879 -1.5399   -1.5399 -0.9125 -1.3879
H11 0.9125 -1.3879 -1.5399   -1.5399 0.9125 -1.3879
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4795 1.4795 1.7987 1.7987 2.3467 2.3467 2.4009 2.4009 2.4009 2.4009
O2 1.4795 2.5801 2.6540 2.6540 2.8938 2.8938 3.5805 2.8480 2.8480 3.5805
O3 1.4795 2.5801 2.6540 2.6540 2.8938 2.8938 2.8480 3.5805 3.5805 2.8480
C4 1.7987 2.6540 2.6540 2.8188 1.1019 3.7653 1.1012 1.1012 3.0062 3.0062
C5 1.7987 2.6540 2.6540 2.8188 3.7653 1.1019 3.0062 3.0062 1.1012 1.1012
H6 2.3467 2.8938 2.8938 1.1019 3.7653 4.5990 1.8070 1.8070 4.0039 4.0039
H7 2.3467 2.8938 2.8938 3.7653 1.1019 4.5990 4.0039 4.0039 1.8070 1.8070
H8 2.4009 3.5805 2.8480 1.1012 3.0062 1.8070 4.0039 1.8249 3.3220 2.7758
H9 2.4009 2.8480 3.5805 1.1012 3.0062 1.8070 4.0039 1.8249 2.7758 3.3220
H10 2.4009 2.8480 3.5805 3.0062 1.1012 4.0039 1.8070 3.3220 2.7758 1.8249
H11 2.4009 3.5805 2.8480 3.0062 1.1012 4.0039 1.8070 2.7758 3.3220 1.8249
Maximum atom distance is 4.5990Å 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 121.365 O2 S1 C4 107.712
O2 S1 C5 107.712 O3 S1 C4 107.712
O3 S1 C5 107.712 C4 S1 C5 103.174
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.472 S1 C4 H8 109.411
S1 C4 H9 109.411 S1 C5 H7 105.472
S1 C5 H10 109.411 S1 C5 H11 109.411
H6 C4 H8 110.213 H6 C4 H9 110.213
H7 C5 H10 110.213 H7 C5 H11 110.213
H8 C4 H9 111.913 H10 C5 H11 111.913

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