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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

B1B95/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2562 0.4271 0.0000   0.2282 0.3610 0.2562
O2 -1.0859 1.0958 0.0000   0.5854 0.9264 -1.0859
C3 0.2562 -0.7912 1.3432   0.7128 -1.3864 0.2562
C4 0.2562 -0.7912 -1.3432   -1.5582 0.0487 0.2562
H5 1.1732 -1.3829 1.3136   0.3717 -1.8708 1.1732
H6 1.1732 -1.3829 -1.3136   -1.8492 -0.4673 1.1732
H7 0.2072 -0.2377 2.2811   1.8014 -1.4196 0.2072
H8 0.2072 -0.2377 -2.2811   -2.0553 1.0177 0.2072
H9 -0.6232 -1.4321 1.2546   0.2955 -1.8809 -0.6232
H10 -0.6232 -1.4321 -1.2546   -1.8257 -0.5404 -0.6232
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.4995 1.8134 1.8134 2.4172 2.4172 2.3765 2.3765 2.4092 2.4092
O2 1.4995 2.6770 2.6770 3.6019 3.6019 2.9418 2.9418 2.8599 2.8599
C3 1.8134 2.6770 2.6864 1.0918 2.8722 1.0902 3.6667 1.0917 2.8165
C4 1.8134 2.6770 2.6864 2.8722 1.0918 3.6667 1.0902 2.8165 1.0917
H5 2.4172 3.6019 1.0918 2.8722 2.6272 1.7835 3.8944 1.7981 3.1346
H6 2.4172 3.6019 2.8722 1.0918 2.6272 3.8944 1.7835 3.1346 1.7981
H7 2.3765 2.9418 1.0902 3.6667 1.7835 3.8944 4.5623 1.7804 3.8233
H8 2.3765 2.9418 3.6667 1.0902 3.8944 1.7835 4.5623 3.8233 1.7804
H9 2.4092 2.8599 1.0917 2.8165 1.7981 3.1346 1.7804 3.8233 2.5093
H10 2.4092 2.8599 2.8165 1.0917 3.1346 1.7981 3.8233 1.7804 2.5093
Maximum atom distance is 4.5623Å 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 107.435 O2 S1 C4 107.435
C3 S1 C4 95.583
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.121 S1 C3 H7 107.225
S1 C3 H9 109.530 S1 C4 H6 110.121
S1 C4 H8 107.225 S1 C4 H10 109.530
H5 C3 H7 109.648 H5 C3 H9 110.869
H6 C4 H8 109.648 H6 C4 H10 110.869
H7 C3 H9 109.373 H8 C4 H10 109.373

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