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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

MP2/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3059 0.4541 0.0000   0.0000 0.1625 0.5228
O2 -1.2904 1.0376 0.0000   0.0000 1.6170 -0.3565
C3 0.3059 -0.7961 1.4367   1.4367 -0.8123 -0.2599
C4 0.3059 -0.7961 -1.4367   -1.4367 -0.8123 -0.2599
H5 1.2287 -1.3925 1.4101   1.4101 -1.8551 0.0862
H6 1.2287 -1.3925 -1.4101   -1.4101 -1.8551 0.0862
H7 0.2466 -0.2035 2.3576   2.3576 -0.3131 0.0649
H8 0.2466 -0.2035 -2.3576   -2.3576 -0.3131 0.0649
H9 -0.5965 -1.4104 1.3148   1.3148 -0.7263 -1.3481
H10 -0.5965 -1.4104 -1.3148   -1.3148 -0.7263 -1.3481
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6996 1.9045 1.9045 2.5000 2.5000 2.4483 2.4483 2.4534 2.4534
O2 1.6996 2.8240 2.8240 3.7735 3.7735 3.0758 3.0758 2.8641 2.8641
C3 1.9045 2.8240 2.8735 1.0991 3.0515 1.0967 3.8408 1.0984 2.9602
C4 1.9045 2.8240 2.8735 3.0515 1.0991 3.8408 1.0967 2.9602 1.0984
H5 2.5000 3.7735 1.0991 3.0515 2.8202 1.8100 4.0711 1.8277 3.2798
H6 2.5000 3.7735 3.0515 1.0991 2.8202 4.0711 1.8100 3.2798 1.8277
H7 2.4483 3.0758 1.0967 3.8408 1.8100 4.0711 4.7152 1.8041 3.9565
H8 2.4483 3.0758 3.8408 1.0967 4.0711 1.8100 4.7152 3.9565 1.8041
H9 2.4534 2.8641 1.0984 2.9602 1.8277 3.2798 1.8041 3.9565 2.6297
H10 2.4534 2.8641 2.9602 1.0984 3.2798 1.8277 3.9565 1.8041 2.6297
Maximum atom distance is 4.7152Å 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 103.026 O2 S1 C4 103.026
C3 S1 C4 97.944
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.750 S1 C3 H7 106.184
S1 C3 H9 106.463 S1 C4 H6 109.750
S1 C4 H8 106.184 S1 C4 H10 106.463
H5 C3 H7 111.039 H5 C3 H9 112.556
H6 C4 H8 111.039 H6 C4 H10 112.556
H7 C3 H9 110.548 H8 C4 H10 110.548

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