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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

B97D3/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2569 0.4333 0.0000   0.0000 0.2316 0.4473
O2 -1.0890 1.0829 0.0000   0.0000 1.4953 -0.3504
C3 0.2569 -0.7932 1.3581   1.3581 -0.8088 -0.2021
C4 0.2569 -0.7932 -1.3581   -1.3581 -0.8088 -0.2021
H5 1.1802 -1.3789 1.3279   1.3279 -1.7946 0.2710
H6 1.1802 -1.3789 -1.3279   -1.3279 -1.7946 0.2710
H7 0.2031 -0.2261 2.2898   2.2898 -0.2993 0.0526
H8 0.2031 -0.2261 -2.2898   -2.2898 -0.2993 0.0526
H9 -0.6230 -1.4342 1.2562   1.2562 -0.8868 -1.2880
H10 -0.6230 -1.4342 -1.2562   -1.2562 -0.8868 -1.2880
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.4944 1.8300 1.8300 2.4290 2.4290 2.3834 2.3834 2.4166 2.4166
O2 1.4944 2.6787 2.6787 3.6018 3.6018 2.9370 2.9370 2.8515 2.8515
C3 1.8300 2.6787 2.7163 1.0938 2.9001 1.0920 3.6921 1.0934 2.8320
C4 1.8300 2.6787 2.7163 2.9001 1.0938 3.6921 1.0920 2.8320 1.0934
H5 2.4290 3.6018 1.0938 2.9001 2.6558 1.7913 3.9206 1.8055 3.1516
H6 2.4290 3.6018 2.9001 1.0938 2.6558 3.9206 1.7913 3.1516 1.8055
H7 2.3834 2.9370 1.0920 3.6921 1.7913 3.9206 4.5795 1.7918 3.8362
H8 2.3834 2.9370 3.6921 1.0920 3.9206 1.7913 4.5795 3.8362 1.7918
H9 2.4166 2.8515 1.0934 2.8320 1.8055 3.1516 1.7918 3.8362 2.5124
H10 2.4166 2.8515 2.8320 1.0934 3.1516 1.8055 3.8362 1.7918 2.5124
Maximum atom distance is 4.5795Å 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 106.936 O2 S1 C4 106.936
C3 S1 C4 95.832
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.778 S1 C3 H7 106.567
S1 C3 H9 108.892 S1 C4 H6 109.778
S1 C4 H8 106.567 S1 C4 H10 108.892
H5 C3 H7 110.071 H5 C3 H9 111.268
H6 C4 H8 110.071 H6 C4 H10 111.268
H7 C3 H9 110.145 H8 C4 H10 110.145

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