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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

CID/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 0.1858   0.1858 0.0000 0.0000
O2 -1.2590 0.0000 0.9060   0.9060 -1.2590 0.0000
O3 1.2590 0.0000 0.9060   0.9060 1.2590 0.0000
C4 0.0000 1.3983 -0.9049   -0.9049 0.0000 1.3983
C5 0.0000 -1.3983 -0.9049   -0.9049 0.0000 -1.3983
H6 0.0000 2.2804 -0.2712   -0.2712 0.0000 2.2804
H7 0.0000 -2.2804 -0.2712   -0.2712 0.0000 -2.2804
H8 0.8960 1.3863 -1.5171   -1.5171 0.8960 1.3863
H9 -0.8960 1.3863 -1.5171   -1.5171 -0.8960 1.3863
H10 -0.8960 -1.3863 -1.5171   -1.5171 -0.8960 -1.3863
H11 0.8960 -1.3863 -1.5171   -1.5171 0.8960 -1.3863
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4505 1.4505 1.7734 1.7734 2.3257 2.3257 2.3716 2.3716 2.3716 2.3716
O2 1.4505 2.5181 2.6115 2.6115 2.8585 2.8585 3.5267 2.8151 2.8151 3.5267
O3 1.4505 2.5181 2.6115 2.6115 2.8585 2.8585 2.8151 3.5267 3.5267 2.8151
C4 1.7734 2.6115 2.6115 2.7966 1.0861 3.7328 1.0852 1.0852 2.9886 2.9886
C5 1.7734 2.6115 2.6115 2.7966 3.7328 1.0861 2.9886 2.9886 1.0852 1.0852
H6 2.3257 2.8585 2.8585 1.0861 3.7328 4.5607 1.7760 1.7760 3.9748 3.9748
H7 2.3257 2.8585 2.8585 3.7328 1.0861 4.5607 3.9748 3.9748 1.7760 1.7760
H8 2.3716 3.5267 2.8151 1.0852 2.9886 1.7760 3.9748 1.7920 3.3013 2.7726
H9 2.3716 2.8151 3.5267 1.0852 2.9886 1.7760 3.9748 1.7920 2.7726 3.3013
H10 2.3716 2.8151 3.5267 2.9886 1.0852 3.9748 1.7760 3.3013 2.7726 1.7920
H11 2.3716 3.5267 2.8151 2.9886 1.0852 3.9748 1.7760 2.7726 3.3013 1.7920
Maximum atom distance is 4.5607Å 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 120.460 O2 S1 C4 107.782
O2 S1 C5 107.782 O3 S1 C4 107.782
O3 S1 C5 107.782 C4 S1 C5 104.086
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 106.348 S1 C4 H8 109.770
S1 C4 H9 109.770 S1 C5 H7 106.348
S1 C5 H10 109.770 S1 C5 H11 109.770
H6 C4 H8 109.760 H6 C4 H9 109.760
H7 C5 H10 109.760 H7 C5 H11 109.760
H8 C4 H9 111.309 H10 C5 H11 111.309

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