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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

B3LYPultrafine/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2782 0.4543 0.0000   0.1455 0.2371 0.4543
O2 -1.1821 1.1962 0.0000   -0.6183 -1.0075 1.1962
C3 0.2782 -0.8640 1.4124   1.3493 -0.5016 -0.8640
C4 0.2782 -0.8640 -1.4124   -1.0583 0.9758 -0.8640
H5 1.1899 -1.4545 1.3134   1.7418 0.3272 -1.4545
H6 1.1899 -1.4545 -1.3134   -0.4971 1.7011 -1.4545
H7 0.2649 -0.3086 2.3499   2.1414 -1.0033 -0.3086
H8 0.2649 -0.3086 -2.3499   -1.8643 1.4548 -0.3086
H9 -0.6213 -1.4726 1.3112   0.7926 -1.2153 -1.4726
H10 -0.6213 -1.4726 -1.3112   -1.4425 0.1563 -1.4726
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6379 1.9320 1.9320 2.4900 2.4900 2.4706 2.4706 2.4983 2.4983
O2 1.6379 2.8933 2.8933 3.7918 3.7918 3.1432 3.1432 3.0259 3.0259
C3 1.9320 2.8933 2.8247 1.0908 2.9343 1.0898 3.8030 1.0908 2.9321
C4 1.9320 2.8933 2.8247 2.9343 1.0908 3.8030 1.0898 2.9321 1.0908
H5 2.4900 3.7918 1.0908 2.9343 2.6269 1.8009 3.9483 1.8113 3.1890
H6 2.4900 3.7918 2.9343 1.0908 2.6269 3.9483 1.8009 3.1890 1.8113
H7 2.4706 3.1432 1.0898 3.8030 1.8009 3.9483 4.6997 1.7942 3.9426
H8 2.4706 3.1432 3.8030 1.0898 3.9483 1.8009 4.6997 3.9426 1.7942
H9 2.4983 3.0259 1.0908 2.9321 1.8113 3.1890 1.7942 3.9426 2.6224
H10 2.4983 3.0259 2.9321 1.0908 3.1890 1.8113 3.9426 1.7942 2.6224
Maximum atom distance is 4.6997Å 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 108.002 O2 S1 C4 108.002
C3 S1 C4 93.945
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 107.647 S1 C3 H7 106.327
S1 C3 H9 108.237 S1 C4 H6 107.647
S1 C4 H8 106.327 S1 C4 H10 108.237
H5 C3 H7 111.355 H5 C3 H9 112.256
H6 C4 H8 111.355 H6 C4 H10 112.256
H7 C3 H9 110.740 H8 C4 H10 110.740

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