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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

B1B95/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1771   0.1771 0.0000 0.0000
O2 -1.4199 0.0000 0.9828   0.9828 -1.4199 0.0000
O3 1.4199 0.0000 0.9828   0.9828 1.4199 0.0000
C4 0.0000 1.4739 -0.9701   -0.9701 0.0000 1.4739
C5 0.0000 -1.4739 -0.9701   -0.9701 0.0000 -1.4739
H6 0.0000 2.3457 -0.3197   -0.3197 0.0000 2.3457
H7 0.0000 -2.3457 -0.3197   -0.3197 0.0000 -2.3457
H8 0.9066 1.4296 -1.5693   -1.5693 0.9066 1.4296
H9 -0.9066 1.4296 -1.5693   -1.5693 -0.9066 1.4296
H10 -0.9066 -1.4296 -1.5693   -1.5693 -0.9066 -1.4296
H11 0.9066 -1.4296 -1.5693   -1.5693 0.9066 -1.4296
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.6326 1.6326 1.8678 1.8678 2.3977 2.3977 2.4321 2.4321 2.4321 2.4321
O2 1.6326 2.8399 2.8289 2.8289 3.0356 3.0356 3.7376 2.9699 2.9699 3.7376
O3 1.6326 2.8399 2.8289 2.8289 3.0356 3.0356 2.9699 3.7376 3.7376 2.9699
C4 1.8678 2.8289 2.8289 2.9479 1.0877 3.8746 1.0876 1.0876 3.1002 3.1002
C5 1.8678 2.8289 2.8289 2.9479 3.8746 1.0877 3.1002 3.1002 1.0876 1.0876
H6 2.3977 3.0356 3.0356 1.0877 3.8746 4.6914 1.7952 1.7952 4.0787 4.0787
H7 2.3977 3.0356 3.0356 3.8746 1.0877 4.6914 4.0787 4.0787 1.7952 1.7952
H8 2.4321 3.7376 2.9699 1.0876 3.1002 1.7952 4.0787 1.8132 3.3856 2.8591
H9 2.4321 2.9699 3.7376 1.0876 3.1002 1.7952 4.0787 1.8132 2.8591 3.3856
H10 2.4321 2.9699 3.7376 3.1002 1.0876 4.0787 1.7952 3.3856 2.8591 1.8132
H11 2.4321 3.7376 2.9699 3.1002 1.0876 4.0787 1.7952 2.8591 3.3856 1.8132
Maximum atom distance is 4.6914Å 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 120.856 O2 S1 C4 107.645
O2 S1 C5 107.645 O3 S1 C4 107.645
O3 S1 C5 107.645 C4 S1 C5 104.210
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.378 S1 C4 H8 107.829
S1 C4 H9 107.829 S1 C5 H7 105.378
S1 C5 H10 107.829 S1 C5 H11 107.829
H6 C4 H8 111.231 H6 C4 H9 111.231
H7 C5 H10 111.231 H7 C5 H11 111.231
H8 C4 H9 112.937 H10 C5 H11 112.937

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