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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/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   0.2375 0.0000 0.4769
O2 -1.1821 1.1962 0.0000   1.6411 0.0000 -0.3674
C3 0.2782 -0.8640 1.4124   -0.8799 1.4124 -0.2226
C4 0.2782 -0.8640 -1.4124   -0.8799 -1.4124 -0.2226
H5 1.1899 -1.4545 1.3134   -1.8643 1.3134 0.2369
H6 1.1899 -1.4545 -1.3134   -1.8643 -1.3134 0.2369
H7 0.2649 -0.3086 2.3499   -0.4021 2.3499 0.0609
H8 0.2649 -0.3086 -2.3499   -0.4021 -2.3499 0.0609
H9 -0.6213 -1.4726 1.3112   -0.9186 1.3112 -1.3079
H10 -0.6213 -1.4726 -1.3112   -0.9186 -1.3112 -1.3079
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.