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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

1910171554
InChI=1S/C2H6S/c1-3-2/h1-2H3 INChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N

HF/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6736   0.6736 0.0000 0.0000
C2 0.0000 1.4329 -0.5272   -0.5272 0.0000 1.4329
C3 0.0000 -1.4329 -0.5272   -0.5272 0.0000 -1.4329
H4 0.0000 2.3377 0.0647   0.0647 0.0000 2.3377
H5 0.0000 -2.3377 0.0647   0.0647 0.0000 -2.3377
H6 0.8881 1.4037 -1.1450   -1.1450 0.8881 1.4037
H7 -0.8881 1.4037 -1.1450   -1.1450 -0.8881 1.4037
H8 -0.8881 -1.4037 -1.1450   -1.1450 -0.8881 -1.4037
H9 0.8881 -1.4037 -1.1450   -1.1450 0.8881 -1.4037
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8695 1.8695 2.4157 2.4157 2.4630 2.4630 2.4630 2.4630
C2 1.8695 2.8658 1.0812 3.8168 1.0822 1.0822 3.0359 3.0359
C3 1.8695 2.8658 3.8168 1.0812 3.0359 3.0359 1.0822 1.0822
H4 2.4157 1.0812 3.8168 4.6755 1.7676 1.7676 4.0312 4.0312
H5 2.4157 3.8168 1.0812 4.6755 4.0312 4.0312 1.7676 1.7676
H6 2.4630 1.0822 3.0359 1.7676 4.0312 1.7763 3.3222 2.8074
H7 2.4630 1.0822 3.0359 1.7676 4.0312 1.7763 2.8074 3.3222
H8 2.4630 3.0359 1.0822 4.0312 1.7676 3.3222 2.8074 1.7763
H9 2.4630 3.0359 1.0822 4.0312 1.7676 2.8074 3.3222 1.7763
Maximum atom distance is 4.6755Å between atoms H4 and H5.
picture of Dimethyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 C3 100.072
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 106.844 S1 C2 H6 110.239
S1 C2 H7 110.239 S1 C3 H5 106.844
S1 C3 H8 110.239 S1 C3 H9 110.239
H4 C2 H6 109.576 H4 C2 H7 109.576
H5 C3 H8 109.576 H5 C3 H9 109.576
H6 C2 H7 110.300 H8 C3 H9 110.300

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