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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

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

CID/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 0.6647   0.6647 0.0000 0.0000
C2 0.0000 1.3765 -0.5147   -0.5147 0.0000 1.3765
C3 0.0000 -1.3765 -0.5147   -0.5147 0.0000 -1.3765
H4 0.0000 2.3065 0.0659   0.0659 0.0000 2.3065
H5 0.0000 -2.3065 0.0659   0.0659 0.0000 -2.3065
H6 0.8968 1.3551 -1.1474   -1.1474 0.8968 1.3551
H7 -0.8968 1.3551 -1.1474   -1.1474 -0.8968 1.3551
H8 -0.8968 -1.3551 -1.1474   -1.1474 -0.8968 -1.3551
H9 0.8968 -1.3551 -1.1474   -1.1474 0.8968 -1.3551
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.8127 1.8127 2.3830 2.3830 2.4340 2.4340 2.4340 2.4340
C2 1.8127 2.7530 1.0964 3.7285 1.0978 1.0978 2.9439 2.9439
C3 1.8127 2.7530 3.7285 1.0964 2.9439 2.9439 1.0978 1.0978
H4 2.3830 1.0964 3.7285 4.6131 1.7837 1.7837 3.9603 3.9603
H5 2.3830 3.7285 1.0964 4.6131 3.9603 3.9603 1.7837 1.7837
H6 2.4340 1.0978 2.9439 1.7837 3.9603 1.7936 3.2500 2.7102
H7 2.4340 1.0978 2.9439 1.7837 3.9603 1.7936 2.7102 3.2500
H8 2.4340 2.9439 1.0978 3.9603 1.7837 3.2500 2.7102 1.7936
H9 2.4340 2.9439 1.0978 3.9603 1.7837 2.7102 3.2500 1.7936
Maximum atom distance is 4.6131Å 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 98.821
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 107.436 S1 C2 H6 111.113
S1 C2 H7 111.113 S1 C3 H5 107.436
S1 C3 H8 111.113 S1 C3 H9 111.113
H4 C2 H6 108.770 H4 C2 H7 108.770
H5 C3 H8 108.770 H5 C3 H9 108.770
H6 C2 H7 109.560 H8 C3 H9 109.560

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