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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

B3LYPultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2577 0.4310 0.0000   0.1367 0.2185 0.4310
O2 -1.0930 1.1090 0.0000   -0.5799 -0.9265 1.1090
C3 0.2577 -0.8011 1.3636   1.2926 -0.5050 -0.8011
C4 0.2577 -0.8011 -1.3636   -1.0191 0.9419 -0.8011
H5 1.1773 -1.3937 1.3317   1.7535 0.2914 -1.3937
H6 1.1773 -1.3937 -1.3317   -0.5042 1.7045 -1.3937
H7 0.2108 -0.2407 2.3004   2.0618 -1.0417 -0.2407
H8 0.2108 -0.2407 -2.3004   -1.8381 1.3991 -0.2407
H9 -0.6244 -1.4425 1.2767   0.7510 -1.2066 -1.4425
H10 -0.6244 -1.4425 -1.2767   -1.4135 0.1481 -1.4425
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5114 1.8378 1.8378 2.4389 2.4389 2.3969 2.3969 2.4327 2.4327
O2 1.5114 2.7078 2.7078 3.6320 3.6320 2.9687 2.9687 2.8913 2.8913
C3 1.8378 2.7078 2.7271 1.0944 2.9088 1.0927 3.7068 1.0941 2.8567
C4 1.8378 2.7078 2.7271 2.9088 1.0944 3.7068 1.0927 2.8567 1.0941
H5 2.4389 3.6320 1.0944 2.9088 2.6634 1.7894 3.9313 1.8032 3.1706
H6 2.4389 3.6320 2.9088 1.0944 2.6634 3.9313 1.7894 3.1706 1.8032
H7 2.3969 2.9687 1.0927 3.7068 1.7894 3.9313 4.6007 1.7860 3.8649
H8 2.3969 2.9687 3.7068 1.0927 3.9313 1.7894 4.6007 3.8649 1.7860
H9 2.4327 2.8913 1.0941 2.8567 1.8032 3.1706 1.7860 3.8649 2.5535
H10 2.4327 2.8913 2.8567 1.0941 3.1706 1.8032 3.8649 1.7860 2.5535
Maximum atom distance is 4.6007Å 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 107.503 O2 S1 C4 107.503
C3 S1 C4 95.799
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.962 S1 C3 H7 106.992
S1 C3 H9 109.521 S1 C4 H6 109.962
S1 C4 H8 106.992 S1 C4 H10 109.521
H5 C3 H7 109.799 H5 C3 H9 110.963
H6 C4 H8 109.799 H6 C4 H10 110.963
H7 C3 H9 109.518 H8 C4 H10 109.518

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