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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

MP2/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1940   0.0000 0.1940 0.0000
O2 -1.2696 0.0000 0.9070   0.0000 0.9070 -1.2696
O3 1.2696 0.0000 0.9070   0.0000 0.9070 1.2696
C4 0.0000 1.3980 -0.9143   1.3980 -0.9143 0.0000
C5 0.0000 -1.3980 -0.9143   -1.3980 -0.9143 0.0000
H6 0.0000 2.2817 -0.2744   2.2817 -0.2744 0.0000
H7 0.0000 -2.2817 -0.2744   -2.2817 -0.2744 0.0000
H8 0.9033 1.3794 -1.5240   1.3794 -1.5240 0.9033
H9 -0.9033 1.3794 -1.5240   1.3794 -1.5240 -0.9033
H10 -0.9033 -1.3794 -1.5240   -1.3794 -1.5240 -0.9033
H11 0.9033 -1.3794 -1.5240   -1.3794 -1.5240 0.9033
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4561 1.4561 1.7840 1.7840 2.3293 2.3293 2.3813 2.3813 2.3813 2.3813
O2 1.4561 2.5391 2.6235 2.6235 2.8659 2.8659 3.5403 2.8190 2.8190 3.5403
O3 1.4561 2.5391 2.6235 2.6235 2.8659 2.8659 2.8190 3.5403 3.5403 2.8190
C4 1.7840 2.6235 2.6235 2.7959 1.0911 3.7349 1.0900 1.0900 2.9836 2.9836
C5 1.7840 2.6235 2.6235 2.7959 3.7349 1.0911 2.9836 2.9836 1.0900 1.0900
H6 2.3293 2.8659 2.8659 1.0911 3.7349 4.5634 1.7865 1.7865 3.9726 3.9726
H7 2.3293 2.8659 2.8659 3.7349 1.0911 4.5634 3.9726 3.9726 1.7865 1.7865
H8 2.3813 3.5403 2.8190 1.0900 2.9836 1.7865 3.9726 1.8067 3.2977 2.7588
H9 2.3813 2.8190 3.5403 1.0900 2.9836 1.7865 3.9726 1.8067 2.7588 3.2977
H10 2.3813 2.8190 3.5403 2.9836 1.0900 3.9726 1.7865 3.2977 2.7588 1.8067
H11 2.3813 3.5403 2.8190 2.9836 1.0900 3.9726 1.7865 2.7588 3.2977 1.8067
Maximum atom distance is 4.5634Å 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 121.366 O2 S1 C4 107.709
O2 S1 C5 107.709 O3 S1 C4 107.709
O3 S1 C5 107.709 C4 S1 C5 103.186
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.685 S1 C4 H8 109.523
S1 C4 H9 109.523 S1 C5 H7 105.685
S1 C5 H10 109.523 S1 C5 H11 109.523
H6 C4 H8 109.990 H6 C4 H9 109.990
H7 C5 H10 109.990 H7 C5 H11 109.990
H8 C4 H9 111.936 H10 C5 H11 111.936

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