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Geometry for C2H4S (Thiirane) 1A1 C2V

1910171554
InChI=1S/C2H4S/c1-2-3-1/h1-2H2 INChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N

CCSD/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 0.8727   0.8727 0.0000 0.0000
C2 0.0000 0.7469 -0.8015   -0.8015 0.7469 0.0000
C3 0.0000 -0.7469 -0.8015   -0.8015 -0.7469 0.0000
H4 -0.9246 1.2622 -1.0863   -1.0863 1.2622 -0.9246
H5 0.9246 1.2622 -1.0863   -1.0863 1.2622 0.9246
H6 0.9246 -1.2622 -1.0863   -1.0863 -1.2622 0.9246
H7 -0.9246 -1.2622 -1.0863   -1.0863 -1.2622 -0.9246
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8333 1.8333 2.5072 2.5072 2.5072 2.5072
C2 1.8333 1.4938 1.0962 1.0962 2.2299 2.2299
C3 1.8333 1.4938 2.2299 2.2299 1.0962 1.0962
H4 2.5072 1.0962 2.2299 1.8493 3.1293 2.5244
H5 2.5072 1.0962 2.2299 1.8493 2.5244 3.1293
H6 2.5072 2.2299 1.0962 3.1293 2.5244 1.8493
H7 2.5072 2.2299 1.0962 2.5244 3.1293 1.8493
Maximum atom distance is 3.1293Å between atoms H4 and H6.
picture of Thiirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C3 65.959 S1 C3 C2 65.959
C2 S1 C3 48.082
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.391 S1 C2 H5 115.391
S1 C3 H6 115.391 S1 C3 H7 115.391
C2 C3 H6 118.041 C2 C3 H7 118.041
C3 C2 H4 118.041 C3 C2 H5 118.041
H4 C2 H5 115.024 H6 C3 H7 115.024

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