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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

TPSSh/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2559 0.4330 0.0000   0.2320 0.3656 0.2559
O2 -1.0850 1.0904 0.0000   0.5843 0.9207 -1.0850
C3 0.2559 -0.7956 1.3528   0.7159 -1.3967 0.2559
C4 0.2559 -0.7956 -1.3528   -1.5686 0.0531 0.2559
H5 1.1721 -1.3909 1.3138   0.3641 -1.8783 1.1721
H6 1.1721 -1.3909 -1.3138   -1.8545 -0.4704 1.1721
H7 0.2164 -0.2329 2.2873   1.8065 -1.4222 0.2164
H8 0.2164 -0.2329 -2.2873   -2.0561 1.0289 0.2164
H9 -0.6310 -1.4277 1.2600   0.2989 -1.8806 -0.6310
H10 -0.6310 -1.4277 -1.2600   -1.8288 -0.5304 -0.6310
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.4935 1.8275 1.8275 2.4273 2.4273 2.3826 2.3826 2.4158 2.4158
O2 1.4935 2.6806 2.6806 3.6025 3.6025 2.9457 2.9457 2.8522 2.8522
C3 1.8275 2.6806 2.7057 1.0933 2.8818 1.0916 3.6836 1.0930 2.8307
C4 1.8275 2.6806 2.7057 2.8818 1.0933 3.6836 1.0916 2.8307 1.0930
H5 2.4273 3.6025 1.0933 2.8818 2.6276 1.7894 3.9016 1.8043 3.1428
H6 2.4273 3.6025 2.8818 1.0933 2.6276 3.9016 1.7894 3.1428 1.8043
H7 2.3826 2.9457 1.0916 3.6836 1.7894 3.9016 4.5747 1.7892 3.8379
H8 2.3826 2.9457 3.6836 1.0916 3.9016 1.7894 4.5747 3.8379 1.7892
H9 2.4158 2.8522 1.0930 2.8307 1.8043 3.1428 1.7892 3.8379 2.5200
H10 2.4158 2.8522 2.8307 1.0930 3.1428 1.8043 3.8379 1.7892 2.5200
Maximum atom distance is 4.5747Å 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 107.216 O2 S1 C4 107.216
C3 S1 C4 95.511
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.853 S1 C3 H7 106.688
S1 C3 H9 109.020 S1 C4 H6 109.853
S1 C4 H8 106.688 S1 C4 H10 109.020
H5 C3 H7 109.969 H5 C3 H9 111.231
H6 C4 H8 109.969 H6 C4 H10 111.231
H7 C3 H9 109.969 H8 C4 H10 109.969

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