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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/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3094 0.4591 0.0000   0.1665 0.2608 0.4591
O2 -1.3050 1.0267 0.0000   -0.7021 -1.1000 1.0267
C3 0.3094 -0.7948 1.4404   1.3807 -0.5142 -0.7948
C4 0.3094 -0.7948 -1.4404   -1.0477 1.0358 -0.7948
H5 1.2678 -1.3507 1.4606   1.9133 0.2828 -1.3507
H6 1.2678 -1.3507 -1.4606   -0.5491 1.8545 -1.3507
H7 0.1796 -0.1954 2.3595   2.0855 -1.1181 -0.1954
H8 0.1796 -0.1954 -2.3595   -1.8922 1.4209 -0.1954
H9 -0.5591 -1.4650 1.2943   0.7902 -1.1676 -1.4650
H10 -0.5591 -1.4650 -1.2943   -1.3918 0.2251 -1.4650
Atom - Atom Distances (Å)
  S1 O2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.7113 1.9098 1.9098 2.5154 2.5154 2.4520 2.4520 2.4762 2.4762
O2 1.7113 2.8283 2.8283 3.7954 3.7954 3.0438 3.0438 2.9052 2.9052
C3 1.9098 2.8283 2.8809 1.1081 3.1054 1.1049 3.8491 1.1067 2.9465
C4 1.9098 2.8283 2.8809 3.1054 1.1081 3.8491 1.1049 2.9465 1.1067
H5 2.5154 3.7954 1.1081 3.1054 2.9213 1.8240 4.1367 1.8380 3.3076
H6 2.5154 3.7954 3.1054 1.1081 2.9213 4.1367 1.8240 3.3076 1.8380
H7 2.4520 3.0438 1.1049 3.8491 1.8240 4.1367 4.7190 1.8145 3.9380
H8 2.4520 3.0438 3.8491 1.1049 4.1367 1.8240 4.7190 3.9380 1.8145
H9 2.4762 2.9052 1.1067 2.9465 1.8380 3.3076 1.8145 3.9380 2.5885
H10 2.4762 2.9052 2.9465 1.1067 3.3076 1.8380 3.9380 1.8145 2.5885
Maximum atom distance is 4.7190Å 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 102.579 O2 S1 C4 102.579
C3 S1 C4 97.920
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 110.066 S1 C3 H7 105.734
S1 C3 H9 107.337 S1 C4 H6 110.066
S1 C4 H8 105.734 S1 C4 H10 107.337
H5 C3 H7 111.014 H5 C3 H9 112.168
H6 C4 H8 111.014 H6 C4 H10 112.168
H7 C3 H9 110.256 H8 C4 H10 110.256

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