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Geometry for C2H4S (Thiirane) 1A1 C2V

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

CCD/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8598   0.8598 0.0000 0.0000
C2 0.0000 0.7414 -0.7899   -0.7899 0.7414 0.0000
C3 0.0000 -0.7414 -0.7899   -0.7899 -0.7414 0.0000
H4 -0.9130 1.2486 -1.0695   -1.0695 1.2486 -0.9130
H5 0.9130 1.2486 -1.0695   -1.0695 1.2486 0.9130
H6 0.9130 -1.2486 -1.0695   -1.0695 -1.2486 0.9130
H7 -0.9130 -1.2486 -1.0695   -1.0695 -1.2486 -0.9130
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8087 1.8087 2.4729 2.4729 2.4729 2.4729
C2 1.8087 1.4827 1.0813 1.0813 2.2072 2.2072
C3 1.8087 1.4827 2.2072 2.2072 1.0813 1.0813
H4 2.4729 1.0813 2.2072 1.8260 3.0937 2.4973
H5 2.4729 1.0813 2.2072 1.8260 2.4973 3.0937
H6 2.4729 2.2072 1.0813 3.0937 2.4973 1.8260
H7 2.4729 2.2072 1.0813 2.4973 3.0937 1.8260
Maximum atom distance is 3.0937Å 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 65.801 S1 C3 C2 65.801
C2 S1 C3 48.397
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.352 S1 C2 H5 115.352
S1 C3 H6 115.352 S1 C3 H7 115.352
C2 C3 H6 117.979 C2 C3 H7 117.979
C3 C2 H4 117.979 C3 C2 H5 117.979
H4 C2 H5 115.217 H6 C3 H7 115.217

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