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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

B3LYP/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2672 0.4317 0.0000   0.0000 0.2114 0.4616
O2 -1.1328 1.0741 0.0000   0.0000 1.5218 -0.3480
C3 0.2672 -0.7896 1.3778   1.3778 -0.8054 -0.2150
C4 0.2672 -0.7896 -1.3778   -1.3778 -0.8054 -0.2150
H5 1.1985 -1.3704 1.3538   1.3538 -1.8048 0.2386
H6 1.1985 -1.3704 -1.3538   -1.3538 -1.8048 0.2386
H7 0.2063 -0.2081 2.3043   2.3043 -0.2875 0.0565
H8 0.2063 -0.2081 -2.3043   -2.3043 -0.2875 0.0565
H9 -0.6143 -1.4342 1.2749   1.2749 -0.8537 -1.3059
H10 -0.6143 -1.4342 -1.2749   -1.2749 -0.8537 -1.3059
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5404 1.8411 1.8411 2.4388 2.4388 2.3923 2.3923 2.4256 2.4256
O2 1.5404 2.7077 2.7077 3.6392 3.6392 2.9576 2.9576 2.8611 2.8611
C3 1.8411 2.7077 2.7556 1.0978 2.9439 1.0956 3.7283 1.0969 2.8687
C4 1.8411 2.7077 2.7556 2.9439 1.0978 3.7283 1.0956 2.8687 1.0969
H5 2.4388 3.6392 1.0978 2.9439 2.7077 1.7997 3.9646 1.8156 3.1938
H6 2.4388 3.6392 2.9439 1.0978 2.7077 3.9646 1.7997 3.1938 1.8156
H7 2.3923 2.9576 1.0956 3.7283 1.7997 3.9646 4.6087 1.7990 3.8714
H8 2.3923 2.9576 3.7283 1.0956 3.9646 1.7997 4.6087 3.8714 1.7990
H9 2.4256 2.8611 1.0969 2.8687 1.8156 3.1938 1.7990 3.8714 2.5497
H10 2.4256 2.8611 2.8687 1.0969 3.1938 1.8156 3.8714 1.7990 2.5497
Maximum atom distance is 4.6087Å 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 106.061 O2 S1 C4 106.061
C3 S1 C4 96.894
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.549 S1 C3 H7 106.307
S1 C3 H9 108.637 S1 C4 H6 109.549
S1 C4 H8 106.307 S1 C4 H10 108.637
H5 C3 H7 110.270 H5 C3 H9 111.638
H6 C4 H8 110.270 H6 C4 H10 111.638
H7 C3 H9 110.280 H8 C4 H10 110.280

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