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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

PBEPBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2612 0.4366 0.0000   0.0000 0.2284 0.4546
O2 -1.1057 1.0814 0.0000   0.0000 1.5057 -0.3533
C3 0.2612 -0.7960 1.3635   1.3635 -0.8119 -0.2065
C4 0.2612 -0.7960 -1.3635   -1.3635 -0.8119 -0.2065
H5 1.1867 -1.3857 1.3368   1.3368 -1.8060 0.2585
H6 1.1867 -1.3857 -1.3368   -1.3368 -1.8060 0.2585
H7 0.2053 -0.2234 2.2962   2.2962 -0.2986 0.0535
H8 0.2053 -0.2234 -2.2962   -2.2962 -0.2986 0.0535
H9 -0.6258 -1.4334 1.2573   1.2573 -0.8742 -1.2969
H10 -0.6258 -1.4334 -1.2573   -1.2573 -0.8742 -1.2969
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5113 1.8380 1.8380 2.4422 2.4422 2.3898 2.3898 2.4216 2.4216
O2 1.5113 2.6930 2.6930 3.6233 3.6233 2.9485 2.9485 2.8522 2.8522
C3 1.8380 2.6930 2.7269 1.0977 2.9147 1.0959 3.7046 1.0974 2.8392
C4 1.8380 2.6930 2.7269 2.9147 1.0977 3.7046 1.0959 2.8392 1.0974
H5 2.4422 3.6233 1.0977 2.9147 2.6735 1.7985 3.9386 1.8148 3.1649
H6 2.4422 3.6233 2.9147 1.0977 2.6735 3.9386 1.7985 3.1649 1.8148
H7 2.3898 2.9485 1.0959 3.7046 1.7985 3.9386 4.5923 1.7983 3.8447
H8 2.3898 2.9485 3.7046 1.0959 3.9386 1.7985 4.5923 3.8447 1.7983
H9 2.4216 2.8522 1.0974 2.8392 1.8148 3.1649 1.7983 3.8447 2.5146
H10 2.4216 2.8522 2.8392 1.0974 3.1649 1.8148 3.8447 1.7983 2.5146
Maximum atom distance is 4.5923Å 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 106.624 O2 S1 C4 106.624
C3 S1 C4 95.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.010 S1 C3 H7 106.315
S1 C3 H9 108.526 S1 C4 H6 110.010
S1 C4 H8 106.315 S1 C4 H10 108.526
H5 C3 H7 110.145 H5 C3 H9 111.538
H6 C4 H8 110.145 H6 C4 H10 111.538
H7 C3 H9 110.158 H8 C4 H10 110.158

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