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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/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2583 0.4355 0.0000   0.2379 0.0000 0.4470
O2 -1.0959 1.1272 0.0000   1.5325 0.0000 -0.3506
C3 0.2583 -0.8123 1.3625   -0.8282 1.3625 -0.2014
C4 0.2583 -0.8123 -1.3625   -0.8282 -1.3625 -0.2014
H5 1.1851 -1.4081 1.3257   -1.8189 1.3257 0.2808
H6 1.1851 -1.4081 -1.3257   -1.8189 -1.3257 0.2808
H7 0.2123 -0.2527 2.3091   -0.3262 2.3091 0.0501
H8 0.2123 -0.2527 -2.3091   -0.3262 -2.3091 0.0501
H9 -0.6300 -1.4585 1.2716   -0.9188 1.2716 -1.2962
H10 -0.6300 -1.4585 -1.2716   -0.9188 -1.2716 -1.2962
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5206 1.8475 1.8475 2.4527 2.4527 2.4099 2.4099 2.4482 2.4482
O2 1.5206 2.7298 2.7298 3.6590 3.6590 2.9913 2.9913 2.9189 2.9189
C3 1.8475 2.7298 2.7249 1.1024 2.9052 1.1007 3.7143 1.1022 2.8539
C4 1.8475 2.7298 2.7249 2.9052 1.1024 3.7143 1.1007 2.8539 1.1022
H5 2.4527 3.6590 1.1024 2.9052 2.6513 1.8024 3.9361 1.8166 3.1691
H6 2.4527 3.6590 2.9052 1.1024 2.6513 3.9361 1.8024 3.1691 1.8166
H7 2.4099 2.9913 1.1007 3.7143 1.8024 3.9361 4.6183 1.8000 3.8711
H8 2.4099 2.9913 3.7143 1.1007 3.9361 1.8024 4.6183 3.8711 1.8000
H9 2.4482 2.9189 1.1022 2.8539 1.8166 3.1691 1.8000 3.8711 2.5432
H10 2.4482 2.9189 2.8539 1.1022 3.1691 1.8166 3.8711 1.8000 2.5432
Maximum atom distance is 4.6183Å 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 107.891 O2 S1 C4 107.891
C3 S1 C4 95.029
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.902 S1 C3 H7 106.910
S1 C3 H9 109.584 S1 C4 H6 109.902
S1 C4 H8 106.910 S1 C4 H10 109.584
H5 C3 H7 109.792 H5 C3 H9 110.970
H6 C4 H8 109.792 H6 C4 H10 110.970
H7 C3 H9 109.594 H8 C4 H10 109.594

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