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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/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1937   0.1937 0.0000 0.0000
O2 -1.2559 0.0000 0.9182   0.9182 -1.2559 0.0000
O3 1.2559 0.0000 0.9182   0.9182 1.2559 0.0000
C4 0.0000 1.3763 -0.9176   -0.9176 0.0000 1.3763
C5 0.0000 -1.3763 -0.9176   -0.9176 0.0000 -1.3763
H6 0.0000 2.2837 -0.3134   -0.3134 0.0000 2.2837
H7 0.0000 -2.2837 -0.3134   -0.3134 0.0000 -2.2837
H8 0.8943 1.3616 -1.5381   -1.5381 0.8943 1.3616
H9 -0.8943 1.3616 -1.5381   -1.5381 -0.8943 1.3616
H10 -0.8943 -1.3616 -1.5381   -1.5381 -0.8943 -1.3616
H11 0.8943 -1.3616 -1.5381   -1.5381 0.8943 -1.3616
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4499 1.4499 1.7689 1.7689 2.3393 2.3393 2.3776 2.3776 2.3776 2.3776
O2 1.4499 2.5118 2.6156 2.6156 2.8826 2.8826 3.5370 2.8316 2.8316 3.5370
O3 1.4499 2.5118 2.6156 2.6156 2.8826 2.8826 2.8316 3.5370 3.5370 2.8316
C4 1.7689 2.6156 2.6156 2.7525 1.0902 3.7095 1.0886 1.0886 2.9463 2.9463
C5 1.7689 2.6156 2.6156 2.7525 3.7095 1.0902 2.9463 2.9463 1.0886 1.0886
H6 2.3393 2.8826 2.8826 1.0902 3.7095 4.5674 1.7748 1.7748 3.9482 3.9482
H7 2.3393 2.8826 2.8826 3.7095 1.0902 4.5674 3.9482 3.9482 1.7748 1.7748
H8 2.3776 3.5370 2.8316 1.0886 2.9463 1.7748 3.9482 1.7886 3.2581 2.7233
H9 2.3776 2.8316 3.5370 1.0886 2.9463 1.7748 3.9482 1.7886 2.7233 3.2581
H10 2.3776 2.8316 3.5370 2.9463 1.0886 3.9482 1.7748 3.2581 2.7233 1.7886
H11 2.3776 3.5370 2.8316 2.9463 1.0886 3.9482 1.7748 2.7233 3.2581 1.7886
Maximum atom distance is 4.5674Å 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 120.042 O2 S1 C4 108.295
O2 S1 C5 108.295 O3 S1 C4 108.295
O3 S1 C5 108.295 C4 S1 C5 102.161
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 107.425 S1 C4 H8 110.344
S1 C4 H9 110.344 S1 C5 H7 107.425
S1 C5 H10 110.344 S1 C5 H11 110.344
H6 C4 H8 109.092 H6 C4 H9 109.092
H7 C5 H10 109.092 H7 C5 H11 109.092
H8 C4 H9 110.474 H10 C5 H11 110.474

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