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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

BLYP/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 0.2014   0.2014 0.0000 0.0000
O2 -1.2937 0.0000 0.9305   0.9305 -1.2937 0.0000
O3 1.2937 0.0000 0.9305   0.9305 1.2937 0.0000
C4 0.0000 1.4441 -0.9418   -0.9418 0.0000 1.4441
C5 0.0000 -1.4441 -0.9418   -0.9418 0.0000 -1.4441
H6 0.0000 2.3280 -0.2939   -0.2939 0.0000 2.3280
H7 0.0000 -2.3280 -0.2939   -0.2939 0.0000 -2.3280
H8 0.9076 1.4257 -1.5551   -1.5551 0.9076 1.4257
H9 -0.9076 1.4257 -1.5551   -1.5551 -0.9076 1.4257
H10 -0.9076 -1.4257 -1.5551   -1.5551 -0.9076 -1.4257
H11 0.9076 -1.4257 -1.5551   -1.5551 0.9076 -1.4257
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4850 1.4850 1.8419 1.8419 2.3801 2.3801 2.4375 2.4375 2.4375 2.4375
O2 1.4850 2.5875 2.6953 2.6953 2.9313 2.9313 3.6134 2.8913 2.8913 3.6134
O3 1.4850 2.5875 2.6953 2.6953 2.9313 2.9313 2.8913 3.6134 3.6134 2.8913
C4 1.8419 2.6953 2.6953 2.8882 1.0960 3.8274 1.0955 1.0955 3.0718 3.0718
C5 1.8419 2.6953 2.6953 2.8882 3.8274 1.0960 3.0718 3.0718 1.0955 1.0955
H6 2.3801 2.9313 2.9313 1.0960 3.8274 4.6560 1.7968 1.7968 4.0626 4.0626
H7 2.3801 2.9313 2.9313 3.8274 1.0960 4.6560 4.0626 4.0626 1.7968 1.7968
H8 2.4375 3.6134 2.8913 1.0955 3.0718 1.7968 4.0626 1.8152 3.3802 2.8514
H9 2.4375 2.8913 3.6134 1.0955 3.0718 1.7968 4.0626 1.8152 2.8514 3.3802
H10 2.4375 2.8913 3.6134 3.0718 1.0955 4.0626 1.7968 3.3802 2.8514 1.8152
H11 2.4375 3.6134 2.8913 3.0718 1.0955 4.0626 1.7968 2.8514 3.3802 1.8152
Maximum atom distance is 4.6560Å 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 121.194 O2 S1 C4 107.742
O2 S1 C5 107.742 O3 S1 C4 107.742
O3 S1 C5 107.742 C4 S1 C5 103.266
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.389 S1 C4 H8 109.528
S1 C4 H9 109.528 S1 C5 H7 105.389
S1 C5 H10 109.528 S1 C5 H11 109.528
H6 C4 H8 110.152 H6 C4 H9 110.152
H7 C5 H10 110.152 H7 C5 H11 110.152
H8 C4 H9 111.884 H10 C5 H11 111.884

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