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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

B2PLYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2541 0.4306 0.0000   0.1365 0.2143 0.4306
O2 -1.0787 1.1511 0.0000   -0.5793 -0.9099 1.1511
C3 0.2541 -0.8165 1.3417   1.2682 -0.5063 -0.8165
C4 0.2541 -0.8165 -1.3417   -0.9953 0.9349 -0.8165
H5 1.1666 -1.4153 1.2891   1.7139 0.2917 -1.4153
H6 1.1666 -1.4153 -1.2891   -0.4609 1.6764 -1.4153
H7 0.2207 -0.2797 2.2918   2.0518 -1.0447 -0.2797
H8 0.2207 -0.2797 -2.2918   -1.8147 1.4171 -0.2797
H9 -0.6296 -1.4545 1.2586   0.7235 -1.2071 -1.4545
H10 -0.6296 -1.4545 -1.2586   -1.3998 0.1448 -1.4545
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5151 1.8318 1.8318 2.4293 2.4293 2.3996 2.3996 2.4328 2.4328
O2 1.5151 2.7291 2.7291 3.6454 3.6454 2.9980 2.9980 2.9283 2.9283
C3 1.8318 2.7291 2.6834 1.0927 2.8482 1.0918 3.6731 1.0931 2.8195
C4 1.8318 2.7291 2.6834 2.8482 1.0927 3.6731 1.0918 2.8195 1.0931
H5 2.4293 3.6454 1.0927 2.8482 2.5782 1.7860 3.8739 1.7969 3.1175
H6 2.4293 3.6454 2.8482 1.0927 2.5782 3.8739 1.7860 3.1175 1.7969
H7 2.3996 2.9980 1.0918 3.6731 1.7860 3.8739 4.5837 1.7807 3.8352
H8 2.3996 2.9980 3.6731 1.0918 3.8739 1.7860 4.5837 3.8352 1.7807
H9 2.4328 2.9283 1.0931 2.8195 1.7969 3.1175 1.7807 3.8352 2.5172
H10 2.4328 2.9283 2.8195 1.0931 3.1175 1.7969 3.8352 1.7807 2.5172
Maximum atom distance is 4.5837Å 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 108.891 O2 S1 C4 108.891
C3 S1 C4 94.186
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.743 S1 C3 H7 107.617
S1 C3 H9 109.978 S1 C4 H6 109.743
S1 C4 H8 107.617 S1 C4 H10 109.978
H5 C3 H7 109.686 H5 C3 H9 110.589
H6 C4 H8 109.686 H6 C4 H10 110.589
H7 C3 H9 109.172 H8 C4 H10 109.172

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