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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

HSEh1PBE/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2582 0.4245 0.0000   0.2300 0.3567 0.2582
O2 -1.0949 1.0645 0.0000   0.5769 0.8946 -1.0949
C3 0.2582 -0.7780 1.3496   0.7127 -1.3852 0.2582
C4 0.2582 -0.7780 -1.3496   -1.5558 0.0775 0.2582
H5 1.1781 -1.3623 1.3224   0.3732 -1.8615 1.1781
H6 1.1781 -1.3623 -1.3224   -1.8496 -0.4283 1.1781
H7 0.2065 -0.2082 2.2753   1.7994 -1.4080 0.2065
H8 0.2065 -0.2082 -2.2753   -2.0251 1.0580 0.2065
H9 -0.6204 -1.4156 1.2525   0.2856 -1.8684 -0.6204
H10 -0.6204 -1.4156 -1.2525   -1.8198 -0.5109 -0.6204
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.4969 1.8075 1.8075 2.4057 2.4057 2.3622 2.3622 2.3930 2.3930
O2 1.4969 2.6546 2.6546 3.5784 3.5784 2.9138 2.9138 2.8186 2.8186
C3 1.8075 2.6546 2.6992 1.0901 2.8857 1.0882 3.6698 1.0899 2.8195
C4 1.8075 2.6546 2.6992 2.8857 1.0901 3.6698 1.0882 2.8195 1.0899
H5 2.4057 3.5784 1.0901 2.8857 2.6448 1.7844 3.9012 1.8006 3.1413
H6 2.4057 3.5784 2.8857 1.0901 2.6448 3.9012 1.7844 3.1413 1.8006
H7 2.3622 2.9138 1.0882 3.6698 1.7844 3.9012 4.5506 1.7854 3.8193
H8 2.3622 2.9138 3.6698 1.0882 3.9012 1.7844 4.5506 3.8193 1.7854
H9 2.3930 2.8186 1.0899 2.8195 1.8006 3.1413 1.7854 3.8193 2.5051
H10 2.3930 2.8186 2.8195 1.0899 3.1413 1.8006 3.8193 1.7854 2.5051
Maximum atom distance is 4.5506Å 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 106.525 O2 S1 C4 106.525
C3 S1 C4 96.600
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.754 S1 C3 H7 106.670
S1 C3 H9 108.825 S1 C4 H6 109.754
S1 C4 H8 106.670 S1 C4 H10 108.825
H5 C3 H7 109.997 H5 C3 H9 111.374
H6 C4 H8 109.997 H6 C4 H10 111.374
H7 C3 H9 110.100 H8 C4 H10 110.100

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