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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/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.2493   0.2493 0.0000 0.0000
O2 -1.4097 0.0000 1.0456   1.0456 -1.4097 0.0000
O3 1.4097 0.0000 1.0456   1.0456 1.4097 0.0000
C4 0.0000 1.4516 -1.0761   -1.0761 0.0000 1.4516
C5 0.0000 -1.4516 -1.0761   -1.0761 0.0000 -1.4516
H6 0.0000 2.4013 -0.5302   -0.5302 0.0000 2.4013
H7 0.0000 -2.4013 -0.5302   -0.5302 0.0000 -2.4013
H8 0.9048 1.3524 -1.6862   -1.6862 0.9048 1.3524
H9 -0.9048 1.3524 -1.6862   -1.6862 -0.9048 1.3524
H10 -0.9048 -1.3524 -1.6862   -1.6862 -0.9048 -1.3524
H11 0.9048 -1.3524 -1.6862   -1.6862 0.9048 -1.3524
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.6191 1.6191 1.9656 1.9656 2.5247 2.5247 2.5286 2.5286 2.5286 2.5286
O2 1.6191 2.8194 2.9318 2.9318 3.1995 3.1995 3.8273 3.0898 3.0898 3.8273
O3 1.6191 2.8194 2.9318 2.9318 3.1995 3.1995 3.0898 3.8273 3.8273 3.0898
C4 1.9656 2.9318 2.9318 2.9031 1.0955 3.8914 1.0958 1.0958 3.0089 3.0089
C5 1.9656 2.9318 2.9318 2.9031 3.8914 1.0955 3.0089 3.0089 1.0958 1.0958
H6 2.5247 3.1995 3.1995 1.0955 3.8914 4.8027 1.8042 1.8042 4.0306 4.0306
H7 2.5247 3.1995 3.1995 3.8914 1.0955 4.8027 4.0306 4.0306 1.8042 1.8042
H8 2.5286 3.8273 3.0898 1.0958 3.0089 1.8042 4.0306 1.8096 3.2544 2.7049
H9 2.5286 3.0898 3.8273 1.0958 3.0089 1.8042 4.0306 1.8096 2.7049 3.2544
H10 2.5286 3.0898 3.8273 3.0089 1.0958 4.0306 1.8042 3.2544 2.7049 1.8096
H11 2.5286 3.8273 3.0898 3.0089 1.0958 4.0306 1.8042 2.7049 3.2544 1.8096
Maximum atom distance is 4.8027Å 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 121.078 O2 S1 C4 109.368
O2 S1 C5 109.368 O3 S1 C4 109.368
O3 S1 C5 109.368 C4 S1 C5 95.204
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 107.714 S1 C4 H8 107.978
S1 C4 H9 107.978 S1 C5 H7 107.714
S1 C5 H10 107.978 S1 C5 H11 107.978
H6 C4 H8 110.848 H6 C4 H9 110.848
H7 C5 H10 110.848 H7 C5 H11 110.848
H8 C4 H9 111.320 H10 C5 H11 111.320

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