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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/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3033 0.4593 0.0000   0.2904 0.3558 0.3033
O2 -1.2769 1.0192 0.0000   0.6445 0.7896 -1.2769
C3 0.3033 -0.7919 1.4288   0.6062 -1.5170 0.3033
C4 0.3033 -0.7919 -1.4288   -1.6076 0.2900 0.3033
H5 1.2411 -1.3669 1.4334   0.2461 -1.9653 1.2411
H6 1.2411 -1.3669 -1.4334   -1.9747 -0.1526 1.2411
H7 0.1978 -0.1985 2.3475   1.6931 -1.6382 0.1978
H8 0.1978 -0.1985 -2.3475   -1.9442 1.3306 0.1978
H9 -0.5773 -1.4347 1.2840   0.0875 -1.9234 -0.5773
H10 -0.5773 -1.4347 -1.2840   -1.9019 -0.2996 -0.5773
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6764 1.8992 1.8992 2.5038 2.5038 2.4402 2.4402 2.4518 2.4518
O2 1.6764 2.7962 2.7962 3.7534 3.7534 3.0280 3.0280 2.8566 2.8566
C3 1.8992 2.7962 2.8577 1.1001 3.0663 1.0987 3.8242 1.0998 2.9237
C4 1.8992 2.7962 2.8577 3.0663 1.1001 3.8242 1.0987 2.9237 1.0998
H5 2.5038 3.7534 1.1001 3.0663 2.8667 1.8136 4.0925 1.8257 3.2703
H6 2.5038 3.7534 3.0663 1.1001 2.8667 4.0925 1.8136 3.2703 1.8257
H7 2.4402 3.0280 1.0987 3.8242 1.8136 4.0925 4.6951 1.8056 3.9137
H8 2.4402 3.0280 3.8242 1.0987 4.0925 1.8136 4.6951 3.9137 1.8056
H9 2.4518 2.8566 1.0998 2.9237 1.8257 3.2703 1.8056 3.9137 2.5680
H10 2.4518 2.8566 2.9237 1.0998 3.2703 1.8257 3.9137 1.8056 2.5680
Maximum atom distance is 4.6951Å 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 102.710 O2 S1 C4 102.710
C3 S1 C4 97.584
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.331 S1 C3 H7 105.859
S1 C3 H9 106.619 S1 C4 H6 110.331
S1 C4 H8 105.859 S1 C4 H10 106.619
H5 C3 H7 111.141 H5 C3 H9 112.182
H6 C4 H8 111.141 H6 C4 H10 112.182
H7 C3 H9 110.421 H8 C4 H10 110.421

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