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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

HSEh1PBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2653 0.4319 0.0000   0.0000 0.2142 0.4594
O2 -1.1190 1.0630 0.0000   0.0000 1.5037 -0.3479
C3 0.2653 -0.7839 1.3569   1.3569 -0.8003 -0.2106
C4 0.2653 -0.7839 -1.3569   -1.3569 -0.8003 -0.2106
H5 1.1871 -1.3836 1.3423   1.3423 -1.8088 0.2280
H6 1.1871 -1.3836 -1.3423   -1.3423 -1.8088 0.2280
H7 0.2047 -0.2064 2.2890   2.2890 -0.2851 0.0571
H8 0.2047 -0.2064 -2.2890   -2.2890 -0.2851 0.0571
H9 -0.6301 -1.4138 1.2529   1.2529 -0.8325 -1.3049
H10 -0.6301 -1.4138 -1.2529   -1.2529 -0.8325 -1.3049
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5214 1.8219 1.8219 2.4387 2.4387 2.3771 2.3771 2.4038 2.4038
O2 1.5214 2.6774 2.6774 3.6202 3.6202 2.9331 2.9331 2.8184 2.8184
C3 1.8219 2.6774 2.7137 1.0998 2.9146 1.0982 3.6918 1.0997 2.8301
C4 1.8219 2.6774 2.7137 2.9146 1.0998 3.6918 1.0982 2.8301 1.0997
H5 2.4387 3.6202 1.0998 2.9146 2.6846 1.8020 3.9417 1.8196 3.1683
H6 2.4387 3.6202 2.9146 1.0998 2.6846 3.9417 1.8020 3.1683 1.8196
H7 2.3771 2.9331 1.0982 3.6918 1.8020 3.9417 4.5780 1.7967 3.8340
H8 2.3771 2.9331 3.6918 1.0982 3.9417 1.8020 4.5780 3.8340 1.7967
H9 2.4038 2.8184 1.0997 2.8301 1.8196 3.1683 1.7967 3.8340 2.5058
H10 2.4038 2.8184 2.8301 1.0997 3.1683 1.8196 3.8340 1.7967 2.5058
Maximum atom distance is 4.5780Å 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 106.071 O2 S1 C4 106.071
C3 S1 C4 96.279
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.732 S1 C3 H7 106.334
S1 C3 H9 108.171 S1 C4 H6 110.732
S1 C4 H8 106.334 S1 C4 H10 108.171
H5 C3 H7 110.134 H5 C3 H9 111.642
H6 C4 H8 110.134 H6 C4 H10 111.642
H7 C3 H9 109.669 H8 C4 H10 109.669

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