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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

MP2/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1770   0.1770 0.0000 0.0000
O2 -1.4193 0.0000 0.9826   0.9826 -1.4193 0.0000
O3 1.4193 0.0000 0.9826   0.9826 1.4193 0.0000
C4 0.0000 1.4897 -0.9702   -0.9702 0.0000 1.4897
C5 0.0000 -1.4897 -0.9702   -0.9702 0.0000 -1.4897
H6 0.0000 2.3623 -0.3124   -0.3124 0.0000 2.3623
H7 0.0000 -2.3623 -0.3124   -0.3124 0.0000 -2.3623
H8 0.9112 1.4439 -1.5713   -1.5713 0.9112 1.4439
H9 -0.9112 1.4439 -1.5713   -1.5713 -0.9112 1.4439
H10 -0.9112 -1.4439 -1.5713   -1.5713 -0.9112 -1.4439
H11 0.9112 -1.4439 -1.5713   -1.5713 0.9112 -1.4439
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.6320 1.6320 1.8802 1.8802 2.4124 2.4124 2.4437 2.4437 2.4437 2.4437
O2 1.6320 2.8386 2.8367 2.8367 3.0449 3.0449 3.7468 2.9775 2.9775 3.7468
O3 1.6320 2.8386 2.8367 2.8367 3.0449 3.0449 2.9775 3.7468 3.7468 2.9775
C4 1.8802 2.8367 2.8367 2.9795 1.0927 3.9078 1.0926 1.0926 3.1302 3.1302
C5 1.8802 2.8367 2.8367 2.9795 3.9078 1.0927 3.1302 3.1302 1.0926 1.0926
H6 2.4124 3.0449 3.0449 1.0927 3.9078 4.7245 1.8051 1.8051 4.1112 4.1112
H7 2.4124 3.0449 3.0449 3.9078 1.0927 4.7245 4.1112 4.1112 1.8051 1.8051
H8 2.4437 3.7468 2.9775 1.0926 3.1302 1.8051 4.1112 1.8224 3.4148 2.8879
H9 2.4437 2.9775 3.7468 1.0926 3.1302 1.8051 4.1112 1.8224 2.8879 3.4148
H10 2.4437 2.9775 3.7468 3.1302 1.0926 4.1112 1.8051 3.4148 2.8879 1.8224
H11 2.4437 3.7468 2.9775 3.1302 1.0926 4.1112 1.8051 2.8879 3.4148 1.8224
Maximum atom distance is 4.7245Å 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 120.841 O2 S1 C4 107.528
O2 S1 C5 107.528 O3 S1 C4 107.528
O3 S1 C5 107.528 C4 S1 C5 104.805
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.390 S1 C4 H8 107.606
S1 C4 H9 107.606 S1 C5 H7 105.390
S1 C5 H10 107.606 S1 C5 H11 107.606
H6 C4 H8 111.388 H6 C4 H9 111.388
H7 C5 H10 111.388 H7 C5 H11 111.388
H8 C4 H9 113.021 H10 C5 H11 113.021

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