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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2782 0.4742 0.0000   0.2653 0.0000 0.4815
O2 -1.1838 1.2355 0.0000   1.6670 0.0000 -0.3856
C3 0.2782 -0.8999 1.4426   -0.9156 1.4426 -0.2211
C4 0.2782 -0.8999 -1.4426   -0.9156 -1.4426 -0.2211
H5 1.2091 -1.4721 1.3365   -1.8833 1.3365 0.2864
H6 1.2091 -1.4721 -1.3365   -1.8833 -1.3365 0.2864
H7 0.2482 -0.3415 2.3858   -0.4204 2.3858 0.0387
H8 0.2482 -0.3415 -2.3858   -0.4204 -2.3858 0.0387
H9 -0.6165 -1.5228 1.3178   -0.9935 1.3178 -1.3085
H10 -0.6165 -1.5228 -1.3178   -0.9935 -1.3178 -1.3085
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6482 1.9923 1.9923 2.5379 2.5379 2.5216 2.5216 2.5545 2.5545
O2 1.6482 2.9628 2.9628 3.8526 3.8526 3.1984 3.1984 3.1091 3.1091
C3 1.9923 2.9628 2.8852 1.0979 2.9862 1.0965 3.8691 1.0973 2.9679
C4 1.9923 2.9628 2.8852 2.9862 1.0979 3.8691 1.0965 2.9679 1.0973
H5 2.5379 3.8526 1.0979 2.9862 2.6729 1.8174 4.0071 1.8264 3.2218
H6 2.5379 3.8526 2.9862 1.0979 2.6729 4.0071 1.8174 3.2218 1.8264
H7 2.5216 3.1984 1.0965 3.8691 1.8174 4.0071 4.7717 1.8122 3.9825
H8 2.5216 3.1984 3.8691 1.0965 4.0071 1.8174 4.7717 3.9825 1.8122
H9 2.5545 3.1091 1.0973 2.9679 1.8264 3.2218 1.8122 3.9825 2.6356
H10 2.5545 3.1091 2.9679 1.0973 3.2218 1.8264 3.9825 1.8122 2.6356
Maximum atom distance is 4.7717Å 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 108.574 O2 S1 C4 108.574
C3 S1 C4 92.785
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 106.824 S1 C3 H7 105.760
S1 C3 H9 108.010 S1 C4 H6 106.824
S1 C4 H8 105.760 S1 C4 H10 108.010
H5 C3 H7 111.824 H5 C3 H9 112.612
H6 C4 H8 111.824 H6 C4 H10 112.612
H7 C3 H9 111.388 H8 C4 H10 111.388

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