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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

CCD/cc-pV(T+d)Z


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1911   0.1911 0.0000 0.0000
O2 -1.2410 0.0000 0.9020   0.9020 -1.2410 0.0000
O3 1.2410 0.0000 0.9020   0.9020 1.2410 0.0000
C4 0.0000 1.3881 -0.9068   -0.9068 0.0000 1.3881
C5 0.0000 -1.3881 -0.9068   -0.9068 0.0000 -1.3881
H6 0.0000 2.2701 -0.2700   -0.2700 0.0000 2.2701
H7 0.0000 -2.2701 -0.2700   -0.2700 0.0000 -2.2701
H8 0.8989 1.3701 -1.5168   -1.5168 0.8989 1.3701
H9 -0.8989 1.3701 -1.5168   -1.5168 -0.8989 1.3701
H10 -0.8989 -1.3701 -1.5168   -1.5168 -0.8989 -1.3701
H11 0.8989 -1.3701 -1.5168   -1.5168 0.8989 -1.3701
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4302 1.4302 1.7698 1.7698 2.3164 2.3164 2.3668 2.3668 2.3668 2.3668
O2 1.4302 2.4820 2.5959 2.5959 2.8402 2.8402 3.5081 2.8008 2.8008 3.5081
O3 1.4302 2.4820 2.5959 2.5959 2.8402 2.8402 2.8008 3.5081 3.5081 2.8008
C4 1.7698 2.5959 2.5959 2.7763 1.0878 3.7132 1.0865 1.0865 2.9644 2.9644
C5 1.7698 2.5959 2.5959 2.7763 3.7132 1.0878 2.9644 2.9644 1.0865 1.0865
H6 2.3164 2.8402 2.8402 1.0878 3.7132 4.5402 1.7812 1.7812 3.9514 3.9514
H7 2.3164 2.8402 2.8402 3.7132 1.0878 4.5402 3.9514 3.9514 1.7812 1.7812
H8 2.3668 3.5081 2.8008 1.0865 2.9644 1.7812 3.9514 1.7978 3.2772 2.7401
H9 2.3668 2.8008 3.5081 1.0865 2.9644 1.7812 3.9514 1.7978 2.7401 3.2772
H10 2.3668 2.8008 3.5081 2.9644 1.0865 3.9514 1.7812 3.2772 2.7401 1.7978
H11 2.3668 3.5081 2.8008 2.9644 1.0865 3.9514 1.7812 2.7401 3.2772 1.7978
Maximum atom distance is 4.5402Å 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 120.385 O2 S1 C4 107.960
O2 S1 C5 107.960 O3 S1 C4 107.960
O3 S1 C5 107.960 C4 S1 C5 103.322
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.830 S1 C4 H8 109.587
S1 C4 H9 109.587 S1 C5 H7 105.830
S1 C5 H10 109.587 S1 C5 H11 109.587
H6 C4 H8 110.010 H6 C4 H9 110.010
H7 C5 H10 110.010 H7 C5 H11 110.010
H8 C4 H9 111.650 H10 C5 H11 111.650

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