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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

BLYP/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2700 0.4434 0.0000   0.2339 0.3767 0.2700
O2 -1.1450 1.0966 0.0000   0.5785 0.9316 -1.1450
C3 0.2700 -0.8099 1.3978   0.7603 -1.4254 0.2700
C4 0.2700 -0.8099 -1.3978   -1.6147 0.0493 0.2700
H5 1.2076 -1.3927 1.3662   0.4260 -1.9038 1.2076
H6 1.2076 -1.3927 -1.3662   -1.8953 -0.4625 1.2076
H7 0.2099 -0.2252 2.3299   1.8606 -1.4203 0.2099
H8 0.2099 -0.2252 -2.3299   -2.0981 1.0377 0.2099
H9 -0.6176 -1.4558 1.2877   0.3261 -1.9161 -0.6176
H10 -0.6176 -1.4558 -1.2877   -1.8619 -0.5575 -0.6176
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5585 1.8774 1.8774 2.4732 2.4732 2.4246 2.4246 2.4602 2.4602
O2 1.5585 2.7552 2.7552 3.6875 3.6875 3.0019 3.0019 2.9071 2.9071
C3 1.8774 2.7552 2.7956 1.1044 2.9763 1.1020 3.7737 1.1032 2.9012
C4 1.8774 2.7552 2.7956 2.9763 1.1044 3.7737 1.1020 2.9012 1.1032
H5 2.4732 3.6875 1.1044 2.9763 2.7323 1.8131 4.0024 1.8279 3.2215
H6 2.4732 3.6875 2.9763 1.1044 2.7323 4.0024 1.8131 3.2215 1.8279
H7 2.4246 3.0019 1.1020 3.7737 1.8131 4.0024 4.6598 1.8125 3.9098
H8 2.4246 3.0019 3.7737 1.1020 4.0024 1.8131 4.6598 3.9098 1.8125
H9 2.4602 2.9071 1.1032 2.9012 1.8279 3.2215 1.8125 3.9098 2.5754
H10 2.4602 2.9071 2.9012 1.1032 3.2215 1.8279 3.9098 1.8125 2.5754
Maximum atom distance is 4.6598Å 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 106.249 O2 S1 C4 106.249
C3 S1 C4 96.240
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.326 S1 C3 H7 105.993
S1 C3 H9 108.454 S1 C4 H6 109.326
S1 C4 H8 105.993 S1 C4 H10 108.454
H5 C3 H7 110.518 H5 C3 H9 111.791
H6 C4 H8 110.518 H6 C4 H10 111.791
H7 C3 H9 110.562 H8 C4 H10 110.562

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