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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3068 0.4543 0.0000   0.2436 0.3835 0.3068
O2 -1.2957 1.0520 0.0000   0.5640 0.8880 -1.2957
C3 0.3068 -0.8036 1.4440   0.7881 -1.4525 0.3068
C4 0.3068 -0.8036 -1.4440   -1.6498 0.0958 0.3068
H5 1.2378 -1.3779 1.4296   0.4681 -1.9295 1.2378
H6 1.2378 -1.3779 -1.4296   -1.9455 -0.3967 1.2378
H7 0.2255 -0.2077 2.3548   1.8764 -1.4377 0.2255
H8 0.2255 -0.2077 -2.3548   -2.0991 1.0871 0.2255
H9 -0.5759 -1.4353 1.3192   0.3442 -1.9189 -0.5759
H10 -0.5759 -1.4353 -1.3192   -1.8831 -0.5043 -0.5759
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.7104 1.9151 1.9151 2.5035 2.5035 2.4474 2.4474 2.4679 2.4679
O2 1.7104 2.8454 2.8454 3.7903 3.7903 3.0734 3.0734 2.9060 2.9060
C3 1.9151 2.8454 2.8880 1.0939 3.0747 1.0914 3.8461 1.0926 2.9688
C4 1.9151 2.8454 2.8880 3.0747 1.0939 3.8461 1.0914 2.9688 1.0926
H5 2.5035 3.7903 1.0939 3.0747 2.8592 1.8028 4.0885 1.8180 3.2938
H6 2.5035 3.7903 3.0747 1.0939 2.8592 4.0885 1.8028 3.2938 1.8180
H7 2.4474 3.0734 1.0914 3.8461 1.8028 4.0885 4.7096 1.7949 3.9557
H8 2.4474 3.0734 3.8461 1.0914 4.0885 1.8028 4.7096 3.9557 1.7949
H9 2.4679 2.9060 1.0926 2.9688 1.8180 3.2938 1.7949 3.9557 2.6385
H10 2.4679 2.9060 2.9688 1.0926 3.2938 1.8180 3.9557 1.7949 2.6385
Maximum atom distance is 4.7096Å 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 103.269 O2 S1 C4 103.269
C3 S1 C4 97.878
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.566 S1 C3 H7 105.697
S1 C3 H9 107.078 S1 C4 H6 109.566
S1 C4 H8 105.697 S1 C4 H10 107.078
H5 C3 H7 111.163 H5 C3 H9 112.493
H6 C4 H8 111.163 H6 C4 H10 112.493
H7 C3 H9 110.532 H8 C4 H10 110.532

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