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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

HF/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2615 0.4228 0.0000   0.2267 0.3569 0.2615
O2 -1.1074 1.0490 0.0000   0.5624 0.8855 -1.1074
C3 0.2615 -0.7695 1.3665   0.7410 -1.3821 0.2615
C4 0.2615 -0.7695 -1.3665   -1.5661 0.0831 0.2615
H5 1.1825 -1.3518 1.3580   0.4217 -1.8692 1.1825
H6 1.1825 -1.3518 -1.3580   -1.8711 -0.4131 1.1825
H7 0.1967 -0.1953 2.2876   1.8264 -1.3913 0.1967
H8 0.1967 -0.1953 -2.2876   -2.0358 1.0615 0.1967
H9 -0.6107 -1.4142 1.2758   0.3188 -1.8778 -0.6107
H10 -0.6107 -1.4142 -1.2758   -1.8351 -0.5099 -0.6107
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5054 1.8135 1.8135 2.4170 2.4170 2.3705 2.3705 2.4006 2.4006
O2 1.5054 2.6548 2.6548 3.5849 3.5849 2.9124 2.9124 2.8181 2.8181
C3 1.8135 2.6548 2.7331 1.0897 2.9344 1.0873 3.6995 1.0884 2.8563
C4 1.8135 2.6548 2.7331 2.9344 1.0897 3.6995 1.0873 2.8563 1.0884
H5 2.4170 3.5849 1.0897 2.9344 2.7161 1.7814 3.9497 1.7961 3.1869
H6 2.4170 3.5849 2.9344 1.0897 2.7161 3.9497 1.7814 3.1869 1.7961
H7 2.3705 2.9124 1.0873 3.6995 1.7814 3.9497 4.5752 1.7781 3.8517
H8 2.3705 2.9124 3.6995 1.0873 3.9497 1.7814 4.5752 3.8517 1.7781
H9 2.4006 2.8181 1.0884 2.8563 1.7961 3.1869 1.7781 3.8517 2.5515
H10 2.4006 2.8181 2.8563 1.0884 3.1869 1.7961 3.8517 1.7781 2.5515
Maximum atom distance is 4.5752Å 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 105.872 O2 S1 C4 105.872
C3 S1 C4 97.793
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.211 S1 C3 H7 106.927
S1 C3 H9 109.063 S1 C4 H6 110.211
S1 C4 H8 106.927 S1 C4 H10 109.063
H5 C3 H7 109.827 H5 C3 H9 111.100
H6 C4 H8 109.827 H6 C4 H10 111.100
H7 C3 H9 109.615 H8 C4 H10 109.615

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