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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

MP2/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2520 0.4255 0.0000   0.1358 0.2122 0.4255
O2 -1.0700 1.1603 0.0000   -0.5769 -0.9012 1.1603
C3 0.2520 -0.8157 1.3372   1.2621 -0.5087 -0.8157
C4 0.2520 -0.8157 -1.3372   -0.9904 0.9331 -0.8157
H5 1.1630 -1.4194 1.2793   1.7045 0.2898 -1.4194
H6 1.1630 -1.4194 -1.2793   -0.4505 1.6692 -1.4194
H7 0.2253 -0.2797 2.2905   2.0506 -1.0451 -0.2797
H8 0.2253 -0.2797 -2.2905   -1.8076 1.4246 -0.2797
H9 -0.6357 -1.4526 1.2592   0.7179 -1.2142 -1.4526
H10 -0.6357 -1.4526 -1.2592   -1.4033 0.1435 -1.4526
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5125 1.8245 1.8245 2.4229 2.4229 2.3968 2.3968 2.4292 2.4292
O2 1.5125 2.7277 2.7277 3.6439 3.6439 2.9997 2.9997 2.9328 2.9328
C3 1.8245 2.7277 2.6745 1.0944 2.8356 1.0939 3.6672 1.0953 2.8170
C4 1.8245 2.7277 2.6745 2.8356 1.0944 3.6672 1.0939 2.8170 1.0953
H5 2.4229 3.6439 1.0944 2.8356 2.5586 1.7890 3.8628 1.7990 3.1113
H6 2.4229 3.6439 2.8356 1.0944 2.5586 3.8628 1.7890 3.1113 1.7990
H7 2.3968 2.9997 1.0939 3.6672 1.7890 3.8628 4.5810 1.7834 3.8363
H8 2.3968 2.9997 3.6672 1.0939 3.8628 1.7890 4.5810 3.8363 1.7834
H9 2.4292 2.9328 1.0953 2.8170 1.7990 3.1113 1.7834 3.8363 2.5185
H10 2.4292 2.9328 2.8170 1.0953 3.1113 1.7990 3.8363 1.7834 2.5185
Maximum atom distance is 4.5810Å 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 109.299 O2 S1 C4 109.299
C3 S1 C4 94.267
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.663 S1 C3 H7 107.781
S1 C3 H9 110.085 S1 C4 H6 109.663
S1 C4 H8 107.781 S1 C4 H10 110.085
H5 C3 H7 109.673 H5 C3 H9 110.488
H6 C4 H8 109.673 H6 C4 H10 110.488
H7 C3 H9 109.102 H8 C4 H10 109.102

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