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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-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2602 0.4355 0.0000   0.0000 0.2287 0.4528
O2 -1.1038 1.0844 0.0000   0.0000 1.5066 -0.3525
C3 0.2602 -0.7965 1.3666   1.3666 -0.8122 -0.2062
C4 0.2602 -0.7965 -1.3666   -1.3666 -0.8122 -0.2062
H5 1.1822 -1.3829 1.3279   1.3279 -1.8008 0.2590
H6 1.1822 -1.3829 -1.3279   -1.3279 -1.8008 0.2590
H7 0.2122 -0.2271 2.2962   2.2962 -0.3054 0.0578
H8 0.2122 -0.2271 -2.2962   -2.2962 -0.3054 0.0578
H9 -0.6226 -1.4321 1.2633   1.2633 -0.8769 -1.2921
H10 -0.6226 -1.4321 -1.2633   -1.2633 -0.8769 -1.2921
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5105 1.8400 1.8400 2.4331 2.4331 2.3904 2.3904 2.4214 2.4214
O2 1.5105 2.6955 2.6955 3.6162 3.6162 2.9537 2.9537 2.8566 2.8566
C3 1.8400 2.6955 2.7331 1.0933 2.9076 1.0912 3.7071 1.0927 2.8460
C4 1.8400 2.6955 2.7331 2.9076 1.0933 3.7071 1.0912 2.8460 1.0927
H5 2.4331 3.6162 1.0933 2.9076 2.6559 1.7929 3.9257 1.8066 3.1582
H6 2.4331 3.6162 2.9076 1.0933 2.6559 3.9257 1.7929 3.1582 1.8066
H7 2.3904 2.9537 1.0912 3.7071 1.7929 3.9257 4.5924 1.7932 3.8495
H8 2.3904 2.9537 3.7071 1.0912 3.9257 1.7929 4.5924 3.8495 1.7932
H9 2.4214 2.8566 1.0927 2.8460 1.8066 3.1582 1.7932 3.8495 2.5266
H10 2.4214 2.8566 2.8460 1.0927 3.1582 1.8066 3.8495 1.7932 2.5266
Maximum atom distance is 4.5924Å 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 106.717 O2 S1 C4 106.717
C3 S1 C4 95.928
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.445 S1 C3 H7 106.458
S1 C3 H9 108.619 S1 C4 H6 109.445
S1 C4 H8 106.458 S1 C4 H10 108.619
H5 C3 H7 110.313 H5 C3 H9 111.467
H6 C4 H8 110.313 H6 C4 H10 111.467
H7 C3 H9 110.393 H8 C4 H10 110.393

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