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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

M06-2X/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2627 0.4353 0.0000   0.0000 0.2201 0.4583
O2 -1.1077 1.0483 0.0000   0.0000 1.4840 -0.3518
C3 0.2627 -0.7794 1.3476   1.3476 -0.7959 -0.2076
C4 0.2627 -0.7794 -1.3476   -1.3476 -0.7959 -0.2076
H5 1.1667 -1.3878 1.3182   1.3182 -1.8003 0.2150
H6 1.1667 -1.3878 -1.3182   -1.3182 -1.8003 0.2150
H7 0.2204 -0.2192 2.2802   2.2802 -0.3042 0.0642
H8 0.2204 -0.2192 -2.2802   -2.2802 -0.3042 0.0642
H9 -0.6339 -1.3921 1.2505   1.2505 -0.8168 -1.2933
H10 -0.6339 -1.3921 -1.2505   -1.2505 -0.8168 -1.2933
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5013 1.8143 1.8143 2.4246 2.4246 2.3726 2.3726 2.3889 2.3889
O2 1.5013 2.6523 2.6523 3.5841 3.5841 2.9275 2.9275 2.7828 2.7828
C3 1.8143 2.6523 2.6952 1.0901 2.8799 1.0887 3.6710 1.0903 2.8159
C4 1.8143 2.6523 2.6952 2.8799 1.0901 3.6710 1.0887 2.8159 1.0903
H5 2.4246 3.5841 1.0901 2.8799 2.6363 1.7851 3.8999 1.8019 3.1369
H6 2.4246 3.5841 2.8799 1.0901 2.6363 3.8999 1.7851 3.1369 1.8019
H7 2.3726 2.9275 1.0887 3.6710 1.7851 3.8999 4.5604 1.7793 3.8172
H8 2.3726 2.9275 3.6710 1.0887 3.8999 1.7851 4.5604 3.8172 1.7793
H9 2.3889 2.7828 1.0903 2.8159 1.8019 3.1369 1.7793 3.8172 2.5009
H10 2.3889 2.7828 2.8159 1.0903 3.1369 1.8019 3.8172 1.7793 2.5009
Maximum atom distance is 4.5604Å 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 105.867 O2 S1 C4 105.867
C3 S1 C4 95.940
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.709 S1 C3 H7 106.964
S1 C3 H9 108.062 S1 C4 H6 110.709
S1 C4 H8 106.964 S1 C4 H10 108.062
H5 C3 H7 110.030 H5 C3 H9 111.465
H6 C4 H8 110.030 H6 C4 H10 111.465
H7 C3 H9 109.485 H8 C4 H10 109.485

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