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Geometry for CH3SOCH3 (Dimethyl sulfoxide) 1A' CS

1910171554
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 INChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2834 0.4875 0.0000   0.2550 0.4155 0.2834
O2 -1.2057 1.1358 0.0000   0.5941 0.9681 -1.2057
C3 0.2834 -0.8585 1.4059   0.7493 -1.4670 0.2834
C4 0.2834 -0.8585 -1.4059   -1.6473 0.0037 0.2834
H5 1.1712 -1.4957 1.2918   0.3187 -1.9505 1.1712
H6 1.1712 -1.4957 -1.2918   -1.8833 -0.5992 1.1712
H7 0.3180 -0.3358 2.3716   1.8457 -1.5267 0.3180
H8 0.3180 -0.3358 -2.3716   -2.1970 0.9542 0.3180
H9 -0.6335 -1.4609 1.3413   0.3791 -1.9466 -0.6335
H10 -0.6335 -1.4609 -1.3413   -1.9073 -0.5436 -0.6335
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6241 1.9463 1.9463 2.5278 2.5278 2.5107 2.5107 2.5369 2.5369
O2 1.6241 2.8585 2.8585 3.7741 3.7741 3.1800 3.1800 2.9781 2.9781
C3 1.9463 2.8585 2.8118 1.0988 2.9106 1.0986 3.8137 1.0990 2.9581
C4 1.9463 2.8585 2.8118 2.9106 1.0988 3.8137 1.0986 2.9581 1.0990
H5 2.5278 3.7741 1.0988 2.9106 2.5835 1.7999 3.9362 1.8057 3.1924
H6 2.5278 3.7741 2.9106 1.0988 2.5835 3.9362 1.7999 3.1924 1.8057
H7 2.5107 3.1800 1.0986 3.8137 1.7999 3.9362 4.7433 1.7980 3.9946
H8 2.5107 3.1800 3.8137 1.0986 3.9362 1.7999 4.7433 3.9946 1.7980
H9 2.5369 2.9781 1.0990 2.9581 1.8057 3.1924 1.7980 3.9946 2.6826
H10 2.5369 2.9781 2.9581 1.0990 3.1924 1.8057 3.9946 1.7980 2.6826
Maximum atom distance is 4.7433Å between atoms H7 and H8.
picture of Dimethyl sulfoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 C3 106.026 O2 S1 C4 106.026
C3 S1 C4 92.496
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.029 S1 C3 H7 107.819
S1 C3 H9 109.669 S1 C4 H6 109.029
S1 C4 H8 107.819 S1 C4 H10 109.669
H5 C3 H7 109.985 H5 C3 H9 110.493
H6 C4 H8 109.985 H6 C4 H10 110.493
H7 C3 H9 109.797 H8 C4 H10 109.797

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