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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

mPW1PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2590 0.4239 0.0000   0.0000 0.2176 0.4465
O2 -1.0979 1.0841 0.0000   0.0000 1.5049 -0.3408
C3 0.2590 -0.7848 1.3552   1.3552 -0.8007 -0.2047
C4 0.2590 -0.7848 -1.3552   -1.3552 -0.8007 -0.2047
H5 1.1801 -1.3714 1.3322   1.3322 -1.7911 0.2552
H6 1.1801 -1.3714 -1.3322   -1.3322 -1.7911 0.2552
H7 0.2056 -0.2195 2.2860   2.2860 -0.2957 0.0550
H8 0.2056 -0.2195 -2.2860   -2.2860 -0.2957 0.0550
H9 -0.6194 -1.4276 1.2666   1.2666 -0.8689 -1.2910
H10 -0.6194 -1.4276 -1.2666   -1.2666 -0.8689 -1.2910
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5090 1.8159 1.8159 2.4179 2.4179 2.3754 2.3754 2.4091 2.4091
O2 1.5090 2.6778 2.6778 3.6047 3.6047 2.9367 2.9367 2.8534 2.8534
C3 1.8159 2.6778 2.7104 1.0923 2.9008 1.0903 3.6852 1.0920 2.8387
C4 1.8159 2.6778 2.7104 2.9008 1.0923 3.6852 1.0903 2.8387 1.0920
H5 2.4179 3.6047 1.0923 2.9008 2.6644 1.7850 3.9201 1.8016 3.1615
H6 2.4179 3.6047 2.9008 1.0923 2.6644 3.9201 1.7850 3.1615 1.8016
H7 2.3754 2.9367 1.0903 3.6852 1.7850 3.9201 4.5719 1.7831 3.8420
H8 2.3754 2.9367 3.6852 1.0903 3.9201 1.7850 4.5719 3.8420 1.7831
H9 2.4091 2.8534 1.0920 2.8387 1.8016 3.1615 1.7831 3.8420 2.5332
H10 2.4091 2.8534 2.8387 1.0920 3.1615 1.8016 3.8420 1.7831 2.5332
Maximum atom distance is 4.5719Å 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 106.932 O2 S1 C4 106.932
C3 S1 C4 96.538
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.982 S1 C3 H7 106.975
S1 C3 H9 109.343 S1 C4 H6 109.982
S1 C4 H8 106.975 S1 C4 H10 109.343
H5 C3 H7 109.733 H5 C3 H9 111.136
H6 C4 H8 109.733 H6 C4 H10 111.136
H7 C3 H9 109.579 H8 C4 H10 109.579

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