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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2667 0.4452 0.0000   0.0000 0.2326 0.4639
O2 -1.1293 1.1020 0.0000   0.0000 1.5358 -0.3617
C3 0.2667 -0.8137 1.3961   1.3961 -0.8297 -0.2115
C4 0.2667 -0.8137 -1.3961   -1.3961 -0.8297 -0.2115
H5 1.2035 -1.3840 1.3851   1.3851 -1.8136 0.2730
H6 1.2035 -1.3840 -1.3851   -1.3851 -1.8136 0.2730
H7 0.1845 -0.2363 2.3221   2.3221 -0.2984 0.0289
H8 0.1845 -0.2363 -2.3221   -2.3221 -0.2984 0.0289
H9 -0.6047 -1.4670 1.2785   1.2785 -0.9135 -1.2974
H10 -0.6047 -1.4670 -1.2785   -1.2785 -0.9135 -1.2974
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5428 1.8799 1.8799 2.4783 2.4783 2.4215 2.4215 2.4597 2.4597
O2 1.5428 2.7509 2.7509 3.6797 3.6797 2.9849 2.9849 2.9170 2.9170
C3 1.8799 2.7509 2.7922 1.0968 2.9896 1.0944 3.7637 1.0954 2.8878
C4 1.8799 2.7509 2.7922 2.9896 1.0968 3.7637 1.0944 2.8878 1.0954
H5 2.4783 3.6797 1.0968 2.9896 2.7702 1.7982 4.0123 1.8132 3.2204
H6 2.4783 3.6797 2.9896 1.0968 2.7702 4.0123 1.7982 3.2204 1.8132
H7 2.4215 2.9849 1.0944 3.7637 1.7982 4.0123 4.6443 1.7963 3.8861
H8 2.4215 2.9849 3.7637 1.0944 4.0123 1.7982 4.6443 3.8861 1.7963
H9 2.4597 2.9170 1.0954 2.8878 1.8132 3.2204 1.7963 3.8861 2.5569
H10 2.4597 2.9170 2.8878 1.0954 3.2204 1.8132 3.8861 1.7963 2.5569
Maximum atom distance is 4.6443Å 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 106.565 O2 S1 C4 106.565
C3 S1 C4 95.919
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.921 S1 C3 H7 105.968
S1 C3 H9 108.638 S1 C4 H6 109.921
S1 C4 H8 105.968 S1 C4 H10 108.638
H5 C3 H7 110.304 H5 C3 H9 111.610
H6 C4 H8 110.304 H6 C4 H10 111.610
H7 C3 H9 110.230 H8 C4 H10 110.230

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