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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-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1895   0.0000 0.1895 0.0000
O2 -1.2509 0.0000 0.9081   0.0000 0.9081 -1.2509
O3 1.2509 0.0000 0.9081   0.0000 0.9081 1.2509
C4 0.0000 1.3948 -0.9115   1.3948 -0.9115 0.0000
C5 0.0000 -1.3948 -0.9115   -1.3948 -0.9115 0.0000
H6 0.0000 2.2742 -0.2719   2.2742 -0.2719 0.0000
H7 0.0000 -2.2742 -0.2719   -2.2742 -0.2719 0.0000
H8 0.8997 1.3738 -1.5200   1.3738 -1.5200 0.8997
H9 -0.8997 1.3738 -1.5200   1.3738 -1.5200 -0.8997
H10 -0.8997 -1.3738 -1.5200   -1.3738 -1.5200 -0.8997
H11 0.8997 -1.3738 -1.5200   -1.3738 -1.5200 0.8997
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4425 1.4425 1.7770 1.7770 2.3206 2.3206 2.3705 2.3705 2.3705 2.3705
O2 1.4425 2.5017 2.6117 2.6117 2.8512 2.8512 3.5224 2.8118 2.8118 3.5224
O3 1.4425 2.5017 2.6117 2.6117 2.8512 2.8512 2.8118 3.5224 3.5224 2.8118
C4 1.7770 2.6117 2.6117 2.7895 1.0875 3.7243 1.0863 1.0863 2.9740 2.9740
C5 1.7770 2.6117 2.6117 2.7895 3.7243 1.0875 2.9740 2.9740 1.0863 1.0863
H6 2.3206 2.8512 2.8512 1.0875 3.7243 4.5485 1.7827 1.7827 3.9592 3.9592
H7 2.3206 2.8512 2.8512 3.7243 1.0875 4.5485 3.9592 3.9592 1.7827 1.7827
H8 2.3705 3.5224 2.8118 1.0863 2.9740 1.7827 3.9592 1.7993 3.2843 2.7475
H9 2.3705 2.8118 3.5224 1.0863 2.9740 1.7827 3.9592 1.7993 2.7475 3.2843
H10 2.3705 2.8118 3.5224 2.9740 1.0863 3.9592 1.7827 3.2843 2.7475 1.7993
H11 2.3705 3.5224 2.8118 2.9740 1.0863 3.9592 1.7827 2.7475 3.2843 1.7993
Maximum atom distance is 4.5485Å 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 120.253 O2 S1 C4 107.976
O2 S1 C5 107.976 O3 S1 C4 107.976
O3 S1 C5 107.976 C4 S1 C5 103.423
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.683 S1 C4 H8 109.384
S1 C4 H9 109.384 S1 C5 H7 105.683
S1 C5 H10 109.384 S1 C5 H11 109.384
H6 C4 H8 110.187 H6 C4 H9 110.187
H7 C5 H10 110.187 H7 C5 H11 110.187
H8 C4 H9 111.825 H10 C5 H11 111.825

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