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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/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3069 0.4606 0.0000   0.1686 0.2565 0.4606
O2 -1.2915 1.0015 0.0000   -0.7093 -1.0793 1.0015
C3 0.3069 -0.7849 1.4273   1.3613 -0.5274 -0.7849
C4 0.3069 -0.7849 -1.4273   -1.0242 1.0404 -0.7849
H5 1.2577 -1.3379 1.4579   1.9091 0.2504 -1.3379
H6 1.2577 -1.3379 -1.4579   -0.5276 1.8518 -1.3379
H7 0.1652 -0.1920 2.3414   2.0474 -1.1479 -0.1920
H8 0.1652 -0.1920 -2.3414   -1.8659 1.4240 -0.1920
H9 -0.5541 -1.4514 1.2713   0.7581 -1.1613 -1.4514
H10 -0.5541 -1.4514 -1.2713   -1.3668 0.2352 -1.4514
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6874 1.8943 1.8943 2.5028 2.5028 2.4347 2.4347 2.4522 2.4522
O2 1.6874 2.7898 2.7898 3.7545 3.7545 3.0047 3.0047 2.8595 2.8595
C3 1.8943 2.7898 2.8545 1.1003 3.0877 1.0988 3.8176 1.0999 2.9100
C4 1.8943 2.7898 2.8545 3.0877 1.1003 3.8176 1.0988 2.9100 1.0999
H5 2.5028 3.7545 1.1003 3.0877 2.9158 1.8131 4.1160 1.8250 3.2779
H6 2.5028 3.7545 3.0877 1.1003 2.9158 4.1160 1.8131 3.2779 1.8250
H7 2.4347 3.0047 1.0988 3.8176 1.8131 4.1160 4.6827 1.8024 3.8930
H8 2.4347 3.0047 3.8176 1.0988 4.1160 1.8131 4.6827 3.8930 1.8024
H9 2.4522 2.8595 1.0999 2.9100 1.8250 3.2779 1.8024 3.8930 2.5427
H10 2.4522 2.8595 2.9100 1.0999 3.2779 1.8250 3.8930 1.8024 2.5427
Maximum atom distance is 4.6827Å 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 102.166 O2 S1 C4 102.166
C3 S1 C4 97.779
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.572 S1 C3 H7 105.781
S1 C3 H9 106.952 S1 C4 H6 110.572
S1 C4 H8 105.781 S1 C4 H10 106.952
H5 C3 H7 111.071 H5 C3 H9 112.080
H6 C4 H8 111.071 H6 C4 H10 112.080
H7 C3 H9 110.117 H8 C4 H10 110.117

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