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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

B97D3/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2579 0.4337 0.0000   0.2292 0.3681 0.2579
O2 -1.0942 1.0839 0.0000   0.5730 0.9201 -1.0942
C3 0.2579 -0.7944 1.3620   0.7363 -1.3943 0.2579
C4 0.2579 -0.7944 -1.3620   -1.5761 0.0456 0.2579
H5 1.1801 -1.3801 1.3252   0.3954 -1.8720 1.1801
H6 1.1801 -1.3801 -1.3252   -1.8544 -0.4710 1.1801
H7 0.2097 -0.2263 2.2922   1.8262 -1.4037 0.2097
H8 0.2097 -0.2263 -2.2922   -2.0654 1.0196 0.2097
H9 -0.6232 -1.4327 1.2615   0.3136 -1.8830 -0.6232
H10 -0.6232 -1.4327 -1.2615   -1.8282 -0.5493 -0.6232
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5003 1.8339 1.8339 2.4282 2.4282 2.3858 2.3858 2.4189 2.4189
O2 1.5003 2.6854 2.6854 3.6055 3.6055 2.9446 2.9446 2.8542 2.8542
C3 1.8339 2.6854 2.7240 1.0931 2.9008 1.0910 3.6984 1.0926 2.8402
C4 1.8339 2.6854 2.7240 2.9008 1.0931 3.6984 1.0910 2.8402 1.0926
H5 2.4282 3.6055 1.0931 2.9008 2.6503 1.7911 3.9190 1.8052 3.1537
H6 2.4282 3.6055 2.9008 1.0931 2.6503 3.9190 1.7911 3.1537 1.8052
H7 2.3858 2.9446 1.0910 3.6984 1.7911 3.9190 4.5844 1.7921 3.8442
H8 2.3858 2.9446 3.6984 1.0910 3.9190 1.7911 4.5844 3.8442 1.7921
H9 2.4189 2.8542 1.0926 2.8402 1.8052 3.1537 1.7921 3.8442 2.5230
H10 2.4189 2.8542 2.8402 1.0926 3.1537 1.8052 3.8442 1.7921 2.5230
Maximum atom distance is 4.5844Å 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 106.872 O2 S1 C4 106.872
C3 S1 C4 95.921
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.497 S1 C3 H7 106.529
S1 C3 H9 108.838 S1 C4 H6 109.497
S1 C4 H8 106.529 S1 C4 H10 108.838
H5 C3 H7 110.183 H5 C3 H9 111.359
H6 C4 H8 110.183 H6 C4 H10 111.359
H7 C3 H9 110.303 H8 C4 H10 110.303

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