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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/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2530 0.4281 0.0000   0.2299 0.3611 0.2530
O2 -1.0740 1.1388 0.0000   0.6116 0.9606 -1.0740
C3 0.2530 -0.8084 1.3326   0.6899 -1.3976 0.2530
C4 0.2530 -0.8084 -1.3326   -1.5583 0.0338 0.2530
H5 1.1692 -1.4062 1.2877   0.3310 -1.8777 1.1692
H6 1.1692 -1.4062 -1.2877   -1.8414 -0.4946 1.1692
H7 0.2139 -0.2717 2.2851   1.7816 -1.4565 0.2139
H8 0.2139 -0.2717 -2.2851   -2.0735 0.9980 0.2139
H9 -0.6296 -1.4516 1.2494   0.2743 -1.8955 -0.6296
H10 -0.6296 -1.4516 -1.2494   -1.8335 -0.5535 -0.6296
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5054 1.8179 1.8179 2.4211 2.4211 2.3902 2.3902 2.4235 2.4235
O2 1.5054 2.7072 2.7072 3.6287 3.6287 2.9783 2.9783 2.9101 2.9101
C3 1.8179 2.7072 2.6652 1.0948 2.8395 1.0940 3.6575 1.0953 2.8035
C4 1.8179 2.7072 2.6652 2.8395 1.0948 3.6575 1.0940 2.8035 1.0953
H5 2.4211 3.6287 1.0948 2.8395 2.5754 1.7872 3.8684 1.7997 3.1104
H6 2.4211 3.6287 2.8395 1.0948 2.5754 3.8684 1.7872 3.1104 1.7997
H7 2.3902 2.9783 1.0940 3.6575 1.7872 3.8684 4.5703 1.7822 3.8205
H8 2.3902 2.9783 3.6575 1.0940 3.8684 1.7872 4.5703 3.8205 1.7822
H9 2.4235 2.9101 1.0953 2.8035 1.7997 3.1104 1.7822 3.8205 2.4988
H10 2.4235 2.9101 2.8035 1.0953 3.1104 1.7997 3.8205 1.7822 2.4988
Maximum atom distance is 4.5703Å 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 108.731 O2 S1 C4 108.731
C3 S1 C4 94.284
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.957 S1 C3 H7 107.733
S1 C3 H9 110.105 S1 C4 H6 109.957
S1 C4 H8 107.733 S1 C4 H10 110.105
H5 C3 H7 109.479 H5 C3 H9 110.522
H6 C4 H8 109.479 H6 C4 H10 110.522
H7 C3 H9 108.989 H8 C4 H10 108.989

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