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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

CBS-Q


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1866   0.1866 0.0000 0.0000
O2 -1.2417 0.0000 0.9050   0.9050 -1.2417 0.0000
O3 1.2417 0.0000 0.9050   0.9050 1.2417 0.0000
C4 0.0000 1.4017 -0.9049   -0.9049 0.0000 1.4017
C5 0.0000 -1.4017 -0.9049   -0.9049 0.0000 -1.4017
H6 0.0000 2.2828 -0.2718   -0.2718 0.0000 2.2828
H7 0.0000 -2.2828 -0.2718   -0.2718 0.0000 -2.2828
H8 0.8952 1.3888 -1.5159   -1.5159 0.8952 1.3888
H9 -0.8952 1.3888 -1.5159   -1.5159 -0.8952 1.3888
H10 -0.8952 -1.3888 -1.5159   -1.5159 -0.8952 -1.3888
H11 0.8952 -1.3888 -1.5159   -1.5159 0.8952 -1.3888
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4345 1.4345 1.7765 1.7765 2.3284 2.3284 2.3725 2.3725 2.3725 2.3725
O2 1.4345 2.4834 2.6042 2.6042 2.8527 2.8527 3.5151 2.8124 2.8124 3.5151
O3 1.4345 2.4834 2.6042 2.6042 2.8527 2.8527 2.8124 3.5151 3.5151 2.8124
C4 1.7765 2.6042 2.6042 2.8033 1.0850 3.7384 1.0839 1.0839 2.9936 2.9936
C5 1.7765 2.6042 2.6042 2.8033 3.7384 1.0850 2.9936 2.9936 1.0839 1.0839
H6 2.3284 2.8527 2.8527 1.0850 3.7384 4.5656 1.7743 1.7743 3.9787 3.9787
H7 2.3284 2.8527 2.8527 3.7384 1.0850 4.5656 3.9787 3.9787 1.7743 1.7743
H8 2.3725 3.5151 2.8124 1.0839 2.9936 1.7743 3.9787 1.7903 3.3047 2.7777
H9 2.3725 2.8124 3.5151 1.0839 2.9936 1.7743 3.9787 1.7903 2.7777 3.3047
H10 2.3725 2.8124 3.5151 2.9936 1.0839 3.9787 1.7743 3.3047 2.7777 1.7903
H11 2.3725 3.5151 2.8124 2.9936 1.0839 3.9787 1.7743 2.7777 3.3047 1.7903
Maximum atom distance is 4.5656Å 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 119.902 O2 S1 C4 107.918
O2 S1 C5 107.918 O3 S1 C4 107.918
O3 S1 C5 107.918 C4 S1 C5 104.182
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 106.396 S1 C4 H8 109.696
S1 C4 H9 109.696 S1 C5 H7 106.396
S1 C5 H10 109.696 S1 C5 H11 109.696
H6 C4 H8 109.788 H6 C4 H9 109.788
H7 C5 H10 109.788 H7 C5 H11 109.788
H8 C4 H9 111.353 H10 C5 H11 111.353

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