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Geometry for HSSSH (trisulfane) 1A C2 trans

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

HF/Def2TZVPP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8389   0.8389 0.0000 0.0000
S2 0.0000 1.6480 -0.3852   -0.3852 1.6460 0.0805
S3 0.0000 -1.6480 -0.3852   -0.3852 -1.6460 -0.0805
H4 -1.3130 1.7717 -0.5486   -0.5486 1.8337 -1.2249
H5 1.3130 -1.7717 -0.5486   -0.5486 -1.8337 1.2249
Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5
S1 2.0528 2.0528 2.6053 2.6053
S2 2.0528 3.2959 1.3289 3.6667
S3 2.0528 3.2959 3.6667 1.3289
H4 2.6053 1.3289 3.6667 4.4104
H5 2.6053 3.6667 1.3289 4.4104
Maximum atom distance is 4.4104Å 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 106.793
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H4 98.513 S1 S3 H5 98.513

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