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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

M06-2X/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 0.1917   0.1917 0.0000 0.0000
O2 -1.2635 0.0000 0.9093   0.9093 -1.2635 0.0000
O3 1.2635 0.0000 0.9093   0.9093 1.2635 0.0000
C4 0.0000 1.4043 -0.9147   -0.9147 0.0000 1.4043
C5 0.0000 -1.4043 -0.9147   -0.9147 0.0000 -1.4043
H6 0.0000 2.2848 -0.2730   -0.2730 0.0000 2.2848
H7 0.0000 -2.2848 -0.2730   -0.2730 0.0000 -2.2848
H8 0.9020 1.3870 -1.5233   -1.5233 0.9020 1.3870
H9 -0.9020 1.3870 -1.5233   -1.5233 -0.9020 1.3870
H10 -0.9020 -1.3870 -1.5233   -1.5233 -0.9020 -1.3870
H11 0.9020 -1.3870 -1.5233   -1.5233 0.9020 -1.3870
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4530 1.4530 1.7878 1.7878 2.3316 2.3316 2.3830 2.3830 2.3830 2.3830
O2 1.4530 2.5270 2.6260 2.6260 2.8661 2.8661 3.5399 2.8235 2.8235 3.5399
O3 1.4530 2.5270 2.6260 2.6260 2.8661 2.8661 2.8235 3.5399 3.5399 2.8235
C4 1.7878 2.6260 2.6260 2.8086 1.0895 3.7445 1.0883 1.0883 2.9959 2.9959
C5 1.7878 2.6260 2.6260 2.8086 3.7445 1.0895 2.9959 2.9959 1.0883 1.0883
H6 2.3316 2.8661 2.8661 1.0895 3.7445 4.5696 1.7841 1.7841 3.9823 3.9823
H7 2.3316 2.8661 2.8661 3.7445 1.0895 4.5696 3.9823 3.9823 1.7841 1.7841
H8 2.3830 3.5399 2.8235 1.0883 2.9959 1.7841 3.9823 1.8040 3.3091 2.7740
H9 2.3830 2.8235 3.5399 1.0883 2.9959 1.7841 3.9823 1.8040 2.7740 3.3091
H10 2.3830 2.8235 3.5399 2.9959 1.0883 3.9823 1.7841 3.3091 2.7740 1.8040
H11 2.3830 3.5399 2.8235 2.9959 1.0883 3.9823 1.7841 2.7740 3.3091 1.8040
Maximum atom distance is 4.5696Å 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 120.811 O2 S1 C4 107.797
O2 S1 C5 107.797 O3 S1 C4 107.797
O3 S1 C5 107.797 C4 S1 C5 103.530
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.680 S1 C4 H8 109.489
S1 C4 H9 109.489 S1 C5 H7 105.680
S1 C5 H10 109.489 S1 C5 H11 109.489
H6 C4 H8 110.011 H6 C4 H9 110.011
H7 C5 H10 110.011 H7 C5 H11 110.011
H8 C4 H9 111.964 H10 C5 H11 111.964

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