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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CCSD=FULL/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6739   0.0000 0.6739 0.0000
C2 0.0000 1.3792 -0.5225   1.3792 -0.5225 0.0000
C3 0.0000 -1.3792 -0.5225   -1.3792 -0.5225 0.0000
H4 0.0000 2.3178 0.0523   2.3178 0.0523 0.0000
H5 0.0000 -2.3178 0.0523   -2.3178 0.0523 0.0000
H6 0.9019 1.3467 -1.1542   1.3467 -1.1542 0.9019
H7 -0.9019 1.3467 -1.1542   1.3467 -1.1542 -0.9019
H8 -0.9019 -1.3467 -1.1542   -1.3467 -1.1542 -0.9019
H9 0.9019 -1.3467 -1.1542   -1.3467 -1.1542 0.9019
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8258 1.8258 2.3997 2.3997 2.4431 2.4431 2.4431 2.4431
C2 1.8258 2.7584 1.1006 3.7414 1.1016 1.1016 2.9399 2.9399
C3 1.8258 2.7584 3.7414 1.1006 2.9399 2.9399 1.1016 1.1016
H4 2.3997 1.1006 3.7414 4.6356 1.7922 1.7922 3.9620 3.9620
H5 2.3997 3.7414 1.1006 4.6356 3.9620 3.9620 1.7922 1.7922
H6 2.4431 1.1016 2.9399 1.7922 3.9620 1.8038 3.2416 2.6934
H7 2.4431 1.1016 2.9399 1.7922 3.9620 1.8038 2.6934 3.2416
H8 2.4431 2.9399 1.1016 3.9620 1.7922 3.2416 2.6934 1.8038
H9 2.4431 2.9399 1.1016 3.9620 1.7922 2.6934 3.2416 1.8038
Maximum atom distance is 4.6356Å 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 98.123
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.579 S1 C2 H6 110.698
S1 C2 H7 110.698 S1 C3 H5 107.579
S1 C3 H8 110.698 S1 C3 H9 110.698
H4 C2 H6 108.944 H4 C2 H7 108.944
H5 C3 H8 108.944 H5 C3 H9 108.944
H6 C2 H7 109.912 H8 C3 H9 109.912

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