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Geometry for HSSSH (trisulfane) 1A C2 trans

1910171554
InChI=1S/H2S3/c1-3-2/h1-2H INChIKey=KBMBVTRWEAAZEY-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8479   0.8477 -0.0220 0.0000
S2 0.0000 1.6736 -0.3872   -0.3870 0.0101 1.6736
S3 0.0000 -1.6736 -0.3872   -0.3870 0.0101 -1.6736
H4 -1.3314 1.7781 -0.5891   -0.6235 -1.3156 1.7781
H5 1.3314 -1.7781 -0.5891   -0.5544 1.3462 -1.7781
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.0800 2.0800 2.6456 2.6456
S2 2.0800 3.3471 1.3507 3.7050
S3 2.0800 3.3471 3.7050 1.3507
H4 2.6456 1.3507 3.7050 4.4426
H5 2.6456 3.7050 1.3507 4.4426
Maximum atom distance is 4.4426Å between atoms H4 and H5.
picture of trisulfane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 S1 S3 107.145
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 98.688 S1 S3 H5 98.688

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