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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

MP2=FULL/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2689 0.4340 0.0000   0.1450 0.2264 0.4340
O2 -1.1382 1.0659 0.0000   -0.6137 -0.9586 1.0659
C3 0.2689 -0.7867 1.3527   1.2842 -0.5029 -0.7867
C4 0.2689 -0.7867 -1.3527   -0.9943 0.9558 -0.7867
H5 1.2005 -1.3713 1.3210   1.7598 0.2988 -1.3713
H6 1.2005 -1.3713 -1.3210   -0.4653 1.7233 -1.3713
H7 0.2068 -0.2185 2.2902   2.0403 -1.0607 -0.2185
H8 0.2068 -0.2185 -2.2902   -1.8173 1.4089 -0.2185
H9 -0.6184 -1.4256 1.2356   0.7072 -1.1871 -1.4256
H10 -0.6184 -1.4256 -1.2356   -1.3741 0.1454 -1.4256
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5424 1.8220 1.8220 2.4233 2.4233 2.3822 2.3822 2.4025 2.4025
O2 1.5424 2.6910 2.6910 3.6269 3.6269 2.9502 2.9502 2.8292 2.8292
C3 1.8220 2.6910 2.7053 1.1003 2.8911 1.0980 3.6874 1.0996 2.8097
C4 1.8220 2.6910 2.7053 2.8911 1.1003 3.6874 1.0980 2.8097 1.0996
H5 2.4233 3.6269 1.1003 2.8911 2.6420 1.8044 3.9188 1.8218 3.1381
H6 2.4233 3.6269 2.8911 1.1003 2.6420 3.9188 1.8044 3.1381 1.8218
H7 2.3822 2.9502 1.0980 3.6874 1.8044 3.9188 4.5804 1.8028 3.8170
H8 2.3822 2.9502 3.6874 1.0980 3.9188 1.8044 4.5804 3.8170 1.8028
H9 2.4025 2.8292 1.0996 2.8097 1.8218 3.1381 1.8028 3.8170 2.4712
H10 2.4025 2.8292 2.8097 1.0996 3.1381 1.8218 3.8170 1.8028 2.4712
Maximum atom distance is 4.5804Å 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 105.930 O2 S1 C4 105.930
C3 S1 C4 95.872
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.548 S1 C3 H7 106.691
S1 C3 H9 108.072 S1 C4 H6 109.548
S1 C4 H8 106.691 S1 C4 H10 108.072
H5 C3 H7 110.327 H5 C3 H9 111.807
H6 C4 H8 110.327 H6 C4 H10 111.807
H7 C3 H9 110.237 H8 C4 H10 110.237

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