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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

B2PLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2763 0.4538 0.0000   0.1455 0.2348 0.4538
O2 -1.1746 1.2101 0.0000   -0.6188 -0.9984 1.2101
C3 0.2763 -0.8688 1.4047   1.3396 -0.5052 -0.8688
C4 0.2763 -0.8688 -1.4047   -1.0485 0.9748 -0.8688
H5 1.1840 -1.4611 1.2967   1.7259 0.3233 -1.4611
H6 1.1840 -1.4611 -1.2967   -0.4784 1.6895 -1.4611
H7 0.2698 -0.3218 2.3456   2.1359 -1.0063 -0.3218
H8 0.2698 -0.3218 -2.3456   -1.8516 1.4649 -0.3218
H9 -0.6236 -1.4751 1.3053   0.7810 -1.2176 -1.4751
H10 -0.6236 -1.4751 -1.3053   -1.4380 0.1576 -1.4751
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.6361 1.9294 1.9294 2.4844 2.4844 2.4705 2.4705 2.4968 2.4968
O2 1.6361 2.8983 2.8983 3.7921 3.7921 3.1519 3.1519 3.0360 3.0360
C3 1.9294 2.8983 2.8095 1.0893 2.9108 1.0883 3.7900 1.0896 2.9192
C4 1.9294 2.8983 2.8095 2.9108 1.0893 3.7900 1.0883 2.9192 1.0896
H5 2.4844 3.7921 1.0893 2.9108 2.5934 1.7983 3.9243 1.8077 3.1683
H6 2.4844 3.7921 2.9108 1.0893 2.5934 3.9243 1.7983 3.1683 1.8077
H7 2.4705 3.1519 1.0883 3.7900 1.7983 3.9243 4.6912 1.7917 3.9315
H8 2.4705 3.1519 3.7900 1.0883 3.9243 1.7983 4.6912 3.9315 1.7917
H9 2.4968 3.0360 1.0896 2.9192 1.8077 3.1683 1.7917 3.9315 2.6106
H10 2.4968 3.0360 2.9192 1.0896 3.1683 1.8077 3.9315 1.7917 2.6106
Maximum atom distance is 4.6912Å 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 108.473 O2 S1 C4 108.473
C3 S1 C4 93.449
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 107.489 S1 C3 H7 106.551
S1 C3 H9 108.358 S1 C4 H6 107.489
S1 C4 H8 106.551 S1 C4 H10 108.358
H5 C3 H7 111.348 H5 C3 H9 112.128
H6 C4 H8 111.348 H6 C4 H10 112.128
H7 C3 H9 110.709 H8 C4 H10 110.709

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