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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

B1B95/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2525 0.4295 0.0000   0.2412 0.0000 0.4359
O2 -1.0717 1.1374 0.0000   1.5245 0.0000 -0.3435
C3 0.2525 -0.8088 1.3280   -0.8247 1.3280 -0.1944
C4 0.2525 -0.8088 -1.3280   -0.8247 -1.3280 -0.1944
H5 1.1670 -1.4040 1.2808   -1.8025 1.2808 0.2898
H6 1.1670 -1.4040 -1.2808   -1.8025 -1.2808 0.2898
H7 0.2124 -0.2775 2.2803   -0.3470 2.2803 0.0415
H8 0.2124 -0.2775 -2.2803   -0.3470 -2.2803 0.0415
H9 -0.6271 -1.4510 1.2408   -0.9297 1.2408 -1.2783
H10 -0.6271 -1.4510 -1.2408   -0.9297 -1.2408 -1.2783
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.5015 1.8158 1.8158 2.4163 2.4163 2.3878 2.3878 2.4185 2.4185
O2 1.5015 2.7027 2.7027 3.6209 3.6209 2.9750 2.9750 2.9046 2.9046
C3 1.8158 2.7027 2.6561 1.0922 2.8278 1.0912 3.6475 1.0925 2.7901
C4 1.8158 2.7027 2.6561 2.8278 1.0922 3.6475 1.0912 2.7901 1.0925
H5 2.4163 3.6209 1.0922 2.8278 2.5616 1.7831 3.8551 1.7951 3.0950
H6 2.4163 3.6209 2.8278 1.0922 2.5616 3.8551 1.7831 3.0950 1.7951
H7 2.3878 2.9750 1.0912 3.6475 1.7831 3.8551 4.5607 1.7783 3.8053
H8 2.3878 2.9750 3.6475 1.0912 3.8551 1.7831 4.5607 3.8053 1.7783
H9 2.4185 2.9046 1.0925 2.7901 1.7951 3.0950 1.7783 3.8053 2.4816
H10 2.4185 2.9046 2.7901 1.0925 3.0950 1.7951 3.8053 1.7783 2.4816
Maximum atom distance is 4.5607Å 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 108.754 O2 S1 C4 108.754
C3 S1 C4 94.005
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 109.879 S1 C3 H7 107.833
S1 C3 H9 110.027 S1 C4 H6 109.879
S1 C4 H8 107.833 S1 C4 H10 110.027
H5 C3 H7 109.503 H5 C3 H9 110.506
H6 C4 H8 109.503 H6 C4 H10 110.506
H7 C3 H9 109.042 H8 C4 H10 109.042

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