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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/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2668 0.4328 0.0000   0.0000 0.2137 0.4613
O2 -1.1262 1.0708 0.0000   0.0000 1.5144 -0.3484
C3 0.2668 -0.7873 1.3591   1.3591 -0.8038 -0.2119
C4 0.2668 -0.7873 -1.3591   -1.3591 -0.8038 -0.2119
H5 1.1820 -1.3873 1.3367   1.3367 -1.8092 0.2202
H6 1.1820 -1.3873 -1.3367   -1.3367 -1.8092 0.2202
H7 0.2121 -0.2213 2.2917   2.2917 -0.3016 0.0548
H8 0.2121 -0.2213 -2.2917   -2.2917 -0.3016 0.0548
H9 -0.6245 -1.4129 1.2540   1.2540 -0.8337 -1.3005
H10 -0.6245 -1.4129 -1.2540   -1.2540 -0.8337 -1.3005
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5322 1.8264 1.8264 2.4366 2.4366 2.3839 2.3839 2.4028 2.4028
O2 1.5322 2.6907 2.6907 3.6272 3.6272 2.9517 2.9517 2.8271 2.8271
C3 1.8264 2.6907 2.7182 1.0946 2.9095 1.0923 3.6949 1.0940 2.8309
C4 1.8264 2.6907 2.7182 2.9095 1.0946 3.6949 1.0923 2.8309 1.0940
H5 2.4366 3.6272 1.0946 2.9095 2.6735 1.7923 3.9327 1.8086 3.1585
H6 2.4366 3.6272 2.9095 1.0946 2.6735 3.9327 1.7923 3.1585 1.8086
H7 2.3839 2.9517 1.0923 3.6949 1.7923 3.9327 4.5835 1.7879 3.8330
H8 2.3839 2.9517 3.6949 1.0923 3.9327 1.7923 4.5835 3.8330 1.7879
H9 2.4028 2.8271 1.0940 2.8309 1.8086 3.1585 1.7879 3.8330 2.5080
H10 2.4028 2.8271 2.8309 1.0940 3.1585 1.8086 3.8330 1.7879 2.5080
Maximum atom distance is 4.5835Å 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 106.150 O2 S1 C4 106.150
C3 S1 C4 96.170
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.547 S1 C3 H7 106.811
S1 C3 H9 108.089 S1 C4 H6 110.547
S1 C4 H8 106.811 S1 C4 H10 108.089
H5 C3 H7 110.082 H5 C3 H9 111.458
H6 C4 H8 110.082 H6 C4 H10 111.458
H7 C3 H9 109.725 H8 C4 H10 109.725

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