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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/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3083 0.4583 0.0000   0.2439 0.3879 0.3083
O2 -1.3017 1.0527 0.0000   0.5603 0.8912 -1.3017
C3 0.3083 -0.8069 1.4464   0.7951 -1.4529 0.3083
C4 0.3083 -0.8069 -1.4464   -1.6540 0.0868 0.3083
H5 1.2611 -1.3589 1.4570   0.5102 -1.9260 1.2611
H6 1.2611 -1.3589 -1.4570   -1.9568 -0.3750 1.2611
H7 0.1876 -0.2075 2.3583   1.8861 -1.4309 0.1876
H8 0.1876 -0.2075 -2.3583   -2.1070 1.0796 0.1876
H9 -0.5576 -1.4693 1.3040   0.3219 -1.9379 -0.5576
H10 -0.5576 -1.4693 -1.3040   -1.8860 -0.5498 -0.5576
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.7162 1.9216 1.9216 2.5166 2.5166 2.4535 2.4535 2.4830 2.4830
O2 1.7162 2.8535 2.8535 3.8088 3.8088 3.0607 3.0607 2.9351 2.9351
C3 1.9216 2.8535 2.8928 1.1013 3.1053 1.0979 3.8536 1.0994 2.9586
C4 1.9216 2.8535 2.8928 3.1053 1.1013 3.8536 1.0979 2.9586 1.0994
H5 2.5166 3.8088 1.1013 3.1053 2.9141 1.8140 4.1274 1.8284 3.3080
H6 2.5166 3.8088 3.1053 1.1013 2.9141 4.1274 1.8140 3.3080 1.8284
H7 2.4535 3.0607 1.0979 3.8536 1.8140 4.1274 4.7167 1.8053 3.9446
H8 2.4535 3.0607 3.8536 1.0979 4.1274 1.8140 4.7167 3.9446 1.8053
H9 2.4830 2.9351 1.0994 2.9586 1.8284 3.3080 1.8053 3.9446 2.6080
H10 2.4830 2.9351 2.9586 1.0994 3.3080 1.8284 3.9446 1.8053 2.6080
Maximum atom distance is 4.7167Å 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 103.183 O2 S1 C4 103.183
C3 S1 C4 97.650
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.712 S1 C3 H7 105.412
S1 C3 H9 107.407 S1 C4 H6 109.712
S1 C4 H8 105.412 S1 C4 H10 107.407
H5 C3 H7 111.144 H5 C3 H9 112.371
H6 C4 H8 111.144 H6 C4 H10 112.371
H7 C3 H9 110.489 H8 C4 H10 110.489

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