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Geometry for C2H4S (Thiirane) 1A1 C2V

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

HF/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8639   0.8639 0.0000 0.0000
C2 0.0000 0.7449 -0.7939   -0.7939 0.7449 0.0000
C3 0.0000 -0.7449 -0.7939   -0.7939 -0.7449 0.0000
H4 -0.9051 1.2453 -1.0738   -1.0738 1.2453 -0.9051
H5 0.9051 1.2453 -1.0738   -1.0738 1.2453 0.9051
H6 0.9051 -1.2453 -1.0738   -1.0738 -1.2453 0.9051
H7 -0.9051 -1.2453 -1.0738   -1.0738 -1.2453 -0.9051
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8175 1.8175 2.4748 2.4748 2.4748 2.4748
C2 1.8175 1.4899 1.0714 1.0714 2.2042 2.2042
C3 1.8175 1.4899 2.2042 2.2042 1.0714 1.0714
H4 2.4748 1.0714 2.2042 1.8101 3.0789 2.4906
H5 2.4748 1.0714 2.2042 1.8101 2.4906 3.0789
H6 2.4748 2.2042 1.0714 3.0789 2.4906 1.8101
H7 2.4748 2.2042 1.0714 2.4906 3.0789 1.8101
Maximum atom distance is 3.0789Å 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 65.803 S1 C3 C2 65.803
C2 S1 C3 48.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.449 S1 C2 H5 115.449
S1 C3 H6 115.449 S1 C3 H7 115.449
C2 C3 H6 117.841 C2 C3 H7 117.841
C3 C2 H4 117.841 C3 C2 H5 117.841
H4 C2 H5 115.295 H6 C3 H7 115.295

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