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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/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2596 0.4288 0.0000   0.0000 0.2204 0.4502
O2 -1.1009 1.0721 0.0000   0.0000 1.4971 -0.3465
C3 0.2596 -0.7857 1.3662   1.3662 -0.8013 -0.2064
C4 0.2596 -0.7857 -1.3662   -1.3662 -0.8013 -0.2064
H5 1.1793 -1.3683 1.3387   1.3387 -1.7887 0.2524
H6 1.1793 -1.3683 -1.3387   -1.3387 -1.7887 0.2524
H7 0.2080 -0.2129 2.2889   2.2889 -0.2916 0.0599
H8 0.2080 -0.2129 -2.2889   -2.2889 -0.2916 0.0599
H9 -0.6176 -1.4233 1.2711   1.2711 -0.8635 -1.2891
H10 -0.6176 -1.4233 -1.2711   -1.2711 -0.8635 -1.2891
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5049 1.8280 1.8280 2.4223 2.4223 2.3777 2.3777 2.4116 2.4116
O2 1.5049 2.6775 2.6775 3.5982 3.5982 2.9332 2.9332 2.8419 2.8419
C3 1.8280 2.6775 2.7325 1.0891 2.9159 1.0872 3.7001 1.0886 2.8516
C4 1.8280 2.6775 2.7325 2.9159 1.0891 3.7001 1.0872 2.8516 1.0886
H5 2.4223 3.5982 1.0891 2.9159 2.6774 1.7836 3.9291 1.7991 3.1692
H6 2.4223 3.5982 2.9159 1.0891 2.6774 3.9291 1.7836 3.1692 1.7991
H7 2.3777 2.9332 1.0872 3.7001 1.7836 3.9291 4.5777 1.7840 3.8497
H8 2.3777 2.9332 3.7001 1.0872 3.9291 1.7836 4.5777 3.8497 1.7840
H9 2.4116 2.8419 1.0886 2.8516 1.7991 3.1692 1.7840 3.8497 2.5423
H10 2.4116 2.8419 2.8516 1.0886 3.1692 1.7991 3.8497 1.7840 2.5423
Maximum atom distance is 4.5777Å 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 106.501 O2 S1 C4 106.501
C3 S1 C4 96.730
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.663 S1 C3 H7 106.513
S1 C3 H9 108.896 S1 C4 H6 109.663
S1 C4 H8 106.513 S1 C4 H10 108.896
H5 C3 H7 110.077 H5 C3 H9 111.409
H6 C4 H8 110.077 H6 C4 H10 111.409
H7 C3 H9 110.153 H8 C4 H10 110.153

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