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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=FULL/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.2281   0.2281 0.0000 0.0000
O2 -1.4540 0.0000 1.0378   1.0378 -1.4540 0.0000
O3 1.4540 0.0000 1.0378   1.0378 1.4540 0.0000
C4 0.0000 1.4155 -1.0484   -1.0484 0.0000 1.4155
C5 0.0000 -1.4155 -1.0484   -1.0484 0.0000 -1.4155
H6 0.0000 2.3698 -0.4959   -0.4959 0.0000 2.3698
H7 0.0000 -2.3698 -0.4959   -0.4959 0.0000 -2.3698
H8 0.9079 1.3380 -1.6701   -1.6701 0.9079 1.3380
H9 -0.9079 1.3380 -1.6701   -1.6701 -0.9079 1.3380
H10 -0.9079 -1.3380 -1.6701   -1.6701 -0.9079 -1.3380
H11 0.9079 -1.3380 -1.6701   -1.6701 0.9079 -1.3380
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.6642 1.6642 1.9061 1.9061 2.4779 2.4779 2.4935 2.4935 2.4935 2.4935
O2 1.6642 2.9080 2.9103 2.9103 3.1752 3.1752 3.8342 3.0694 3.0694 3.8342
O3 1.6642 2.9080 2.9103 2.9103 3.1752 3.1752 3.0694 3.8342 3.8342 3.0694
C4 1.9061 2.9103 2.9103 2.8310 1.1026 3.8254 1.1031 1.1031 2.9653 2.9653
C5 1.9061 2.9103 2.9103 2.8310 3.8254 1.1026 2.9653 2.9653 1.1031 1.1031
H6 2.4779 3.1752 3.1752 1.1026 3.8254 4.7396 1.8076 1.8076 3.9938 3.9938
H7 2.4779 3.1752 3.1752 3.8254 1.1026 4.7396 3.9938 3.9938 1.8076 1.8076
H8 2.4935 3.8342 3.0694 1.1031 2.9653 1.8076 3.9938 1.8158 3.2339 2.6760
H9 2.4935 3.0694 3.8342 1.1031 2.9653 1.8076 3.9938 1.8158 2.6760 3.2339
H10 2.4935 3.0694 3.8342 2.9653 1.1031 3.9938 1.8076 3.2339 2.6760 1.8158
H11 2.4935 3.8342 3.0694 2.9653 1.1031 3.9938 1.8076 2.6760 3.2339 1.8158
Maximum atom distance is 4.7396Å 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 121.775 O2 S1 C4 109.015
O2 S1 C5 109.015 O3 S1 C4 109.015
O3 S1 C5 109.015 C4 S1 C5 95.913
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 107.887 S1 C4 H8 108.981
S1 C4 H9 108.981 S1 C5 H7 107.887
S1 C5 H10 108.981 S1 C5 H11 108.981
H6 C4 H8 110.072 H6 C4 H9 110.072
H7 C5 H10 110.072 H7 C5 H11 110.072
H8 C4 H9 110.785 H10 C5 H11 110.785

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