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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

B2PLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2611 0.4323 0.0000   0.1400 0.2204 0.4323
O2 -1.1036 1.0743 0.0000   -0.5918 -0.9315 1.0743
C3 0.2611 -0.7886 1.3542   1.2831 -0.5058 -0.7886
C4 0.2611 -0.7886 -1.3542   -1.0031 0.9465 -0.7886
H5 1.1654 -1.3974 1.3153   1.7352 0.2785 -1.3974
H6 1.1654 -1.3974 -1.3153   -0.4853 1.6890 -1.3974
H7 0.2312 -0.2256 2.2860   2.0536 -1.0307 -0.2256
H8 0.2312 -0.2256 -2.2860   -1.8057 1.4209 -0.2256
H9 -0.6371 -1.4011 1.2672   0.7280 -1.2172 -1.4011
H10 -0.6371 -1.4011 -1.2672   -1.4112 0.1417 -1.4011
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5082 1.8233 1.8233 2.4281 2.4281 2.3790 2.3790 2.4029 2.4029
O2 1.5082 2.6770 2.6770 3.6039 3.6039 2.9492 2.9492 2.8197 2.8197
C3 1.8233 2.6770 2.7084 1.0909 2.8836 1.0891 3.6836 1.0906 2.8379
C4 1.8233 2.6770 2.7084 2.8836 1.0909 3.6836 1.0891 2.8379 1.0906
H5 2.4281 3.6039 1.0909 2.8836 2.6307 1.7856 3.9007 1.8032 3.1494
H6 2.4281 3.6039 2.8836 1.0909 2.6307 3.9007 1.7856 3.1494 1.8032
H7 2.3790 2.9492 1.0891 3.6836 1.7856 3.9007 4.5721 1.7815 3.8420
H8 2.3790 2.9492 3.6836 1.0891 3.9007 1.7856 4.5721 3.8420 1.7815
H9 2.4029 2.8197 1.0906 2.8379 1.8032 3.1494 1.7815 3.8420 2.5343
H10 2.4029 2.8197 2.8379 1.0906 3.1494 1.8032 3.8420 1.7815 2.5343
Maximum atom distance is 4.5721Å 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 106.561 O2 S1 C4 106.561
C3 S1 C4 95.929
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.318 S1 C3 H7 106.822
S1 C3 H9 108.468 S1 C4 H6 110.318
S1 C4 H8 106.822 S1 C4 H10 108.468
H5 C3 H7 109.981 H5 C3 H9 111.496
H6 C4 H8 109.981 H6 C4 H10 111.496
H7 C3 H9 109.631 H8 C4 H10 109.631

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