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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

MP3/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1886   0.1886 0.0000 0.0000
O2 -1.2683 0.0000 0.9095   0.9095 -1.2683 0.0000
O3 1.2683 0.0000 0.9095   0.9095 1.2683 0.0000
C4 0.0000 1.4024 -0.9109   -0.9109 0.0000 1.4024
C5 0.0000 -1.4024 -0.9109   -0.9109 0.0000 -1.4024
H6 0.0000 2.2836 -0.2763   -0.2763 0.0000 2.2836
H7 0.0000 -2.2836 -0.2763   -0.2763 0.0000 -2.2836
H8 0.8969 1.3846 -1.5216   -1.5216 0.8969 1.3846
H9 -0.8969 1.3846 -1.5216   -1.5216 -0.8969 1.3846
H10 -0.8969 -1.3846 -1.5216   -1.5216 -0.8969 -1.3846
H11 0.8969 -1.3846 -1.5216   -1.5216 0.8969 -1.3846
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4589 1.4589 1.7820 1.7820 2.3304 2.3304 2.3762 2.3762 2.3762 2.3762
O2 1.4589 2.5366 2.6248 2.6248 2.8687 2.8687 3.5378 2.8223 2.8223 3.5378
O3 1.4589 2.5366 2.6248 2.6248 2.8687 2.8687 2.8223 3.5378 3.5378 2.8223
C4 1.7820 2.6248 2.6248 2.8048 1.0859 3.7402 1.0852 1.0852 2.9908 2.9908
C5 1.7820 2.6248 2.6248 2.8048 3.7402 1.0859 2.9908 2.9908 1.0852 1.0852
H6 2.3304 2.8687 2.8687 1.0859 3.7402 4.5671 1.7786 1.7786 3.9762 3.9762
H7 2.3304 2.8687 2.8687 3.7402 1.0859 4.5671 3.9762 3.9762 1.7786 1.7786
H8 2.3762 3.5378 2.8223 1.0852 2.9908 1.7786 3.9762 1.7939 3.2994 2.7691
H9 2.3762 2.8223 3.5378 1.0852 2.9908 1.7786 3.9762 1.7939 2.7691 3.2994
H10 2.3762 2.8223 3.5378 2.9908 1.0852 3.9762 1.7786 3.2994 2.7691 1.7939
H11 2.3762 3.5378 2.8223 2.9908 1.0852 3.9762 1.7786 2.7691 3.2994 1.7939
Maximum atom distance is 4.5671Å 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 120.768 O2 S1 C4 107.752
O2 S1 C5 107.752 O3 S1 C4 107.752
O3 S1 C5 107.752 C4 S1 C5 103.807
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 106.141 S1 C4 H8 109.527
S1 C4 H9 109.527 S1 C5 H7 106.141
S1 C5 H10 109.527 S1 C5 H11 109.527
H6 C4 H8 110.013 H6 C4 H9 110.013
H7 C5 H10 110.013 H7 C5 H11 110.013
H8 C4 H9 111.477 H10 C5 H11 111.477

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