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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

TPSSh/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1956   0.1956 0.0000 0.0000
O2 -1.2606 0.0000 0.9122   0.9122 -1.2606 0.0000
O3 1.2606 0.0000 0.9122   0.9122 1.2606 0.0000
C4 0.0000 1.4092 -0.9201   -0.9201 0.0000 1.4092
C5 0.0000 -1.4092 -0.9201   -0.9201 0.0000 -1.4092
H6 0.0000 2.2915 -0.2771   -0.2771 0.0000 2.2915
H7 0.0000 -2.2915 -0.2771   -0.2771 0.0000 -2.2915
H8 0.9026 1.3898 -1.5327   -1.5327 0.9026 1.3898
H9 -0.9026 1.3898 -1.5327   -1.5327 -0.9026 1.3898
H10 -0.9026 -1.3898 -1.5327   -1.5327 -0.9026 -1.3898
H11 0.9026 -1.3898 -1.5327   -1.5327 0.9026 -1.3898
Atom - Atom Distances (Å)
  S1 O2 O3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.4501 1.4501 1.7974 1.7974 2.3398 2.3398 2.3944 2.3944 2.3944 2.3944
O2 1.4501 2.5213 2.6329 2.6329 2.8731 2.8731 3.5480 2.8350 2.8350 3.5480
O3 1.4501 2.5213 2.6329 2.6329 2.8731 2.8731 2.8350 3.5480 3.5480 2.8350
C4 1.7974 2.6329 2.6329 2.8185 1.0917 3.7562 1.0910 1.0910 3.0041 3.0041
C5 1.7974 2.6329 2.6329 2.8185 3.7562 1.0917 3.0041 3.0041 1.0910 1.0910
H6 2.3398 2.8731 2.8731 1.0917 3.7562 4.5830 1.7900 1.7900 3.9929 3.9929
H7 2.3398 2.8731 2.8731 3.7562 1.0917 4.5830 3.9929 3.9929 1.7900 1.7900
H8 2.3944 3.5480 2.8350 1.0910 3.0041 1.7900 3.9929 1.8051 3.3144 2.7797
H9 2.3944 2.8350 3.5480 1.0910 3.0041 1.7900 3.9929 1.8051 2.7797 3.3144
H10 2.3944 2.8350 3.5480 3.0041 1.0910 3.9929 1.7900 3.3144 2.7797 1.8051
H11 2.3944 3.5480 2.8350 3.0041 1.0910 3.9929 1.7900 2.7797 3.3144 1.8051
Maximum atom distance is 4.5830Å 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 120.770 O2 S1 C4 107.863
O2 S1 C5 107.863 O3 S1 C4 107.863
O3 S1 C5 107.863 C4 S1 C5 103.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C4 H6 105.548 S1 C4 H8 109.548
S1 C4 H9 109.548 S1 C5 H7 105.548
S1 C5 H10 109.548 S1 C5 H11 109.548
H6 C4 H8 110.187 H6 C4 H9 110.187
H7 C5 H10 110.187 H7 C5 H11 110.187
H8 C4 H9 111.640 H10 C5 H11 111.640

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