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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

PBE1PBE/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2592 0.4246 0.0000   0.1364 0.2205 0.4246
O2 -1.0989 1.0816 0.0000   -0.5780 -0.9346 1.0816
C3 0.2592 -0.7842 1.3525   1.2867 -0.4909 -0.7842
C4 0.2592 -0.7842 -1.3525   -1.0140 0.9319 -0.7842
H5 1.1821 -1.3707 1.3300   1.7529 0.3058 -1.3707
H6 1.1821 -1.3707 -1.3300   -0.5095 1.7049 -1.3707
H7 0.2039 -0.2193 2.2851   2.0507 -1.0285 -0.2193
H8 0.2039 -0.2193 -2.2851   -1.8362 1.3753 -0.2193
H9 -0.6199 -1.4282 1.2612   0.7466 -1.1906 -1.4282
H10 -0.6199 -1.4282 -1.2612   -1.3987 0.1361 -1.4282
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5087 1.8140 1.8140 2.4174 2.4174 2.3747 2.3747 2.4076 2.4076
O2 1.5087 2.6749 2.6749 3.6036 3.6036 2.9345 2.9345 2.8494 2.8494
C3 1.8140 2.6749 2.7050 1.0937 2.8968 1.0918 3.6816 1.0936 2.8318
C4 1.8140 2.6749 2.7050 2.8968 1.0937 3.6816 1.0918 2.8318 1.0936
H5 2.4174 3.6036 1.0937 2.8968 2.6601 1.7874 3.9181 1.8042 3.1568
H6 2.4174 3.6036 2.8968 1.0937 2.6601 3.9181 1.7874 3.1568 1.8042
H7 2.3747 2.9345 1.0918 3.6816 1.7874 3.9181 4.5702 1.7856 3.8362
H8 2.3747 2.9345 3.6816 1.0918 3.9181 1.7874 4.5702 3.8362 1.7856
H9 2.4076 2.8494 1.0936 2.8318 1.8042 3.1568 1.7856 3.8362 2.5225
H10 2.4076 2.8494 2.8318 1.0936 3.1568 1.8042 3.8362 1.7856 2.5225
Maximum atom distance is 4.5702Å 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 106.871 O2 S1 C4 106.871
C3 S1 C4 96.418
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.002 S1 C3 H7 106.981
S1 C3 H9 109.280 S1 C4 H6 110.002
S1 C4 H8 106.981 S1 C4 H10 109.280
H5 C3 H7 109.744 H5 C3 H9 111.154
H6 C4 H8 109.744 H6 C4 H10 111.154
H7 C3 H9 109.585 H8 C4 H10 109.585

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