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Geometry for C2H4S (Thiirane) 1A1 C2V

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

CISD/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 0.8677   0.8677 0.0000 0.0000
C2 0.0000 0.7430 -0.7972   -0.7972 0.7430 0.0000
C3 0.0000 -0.7430 -0.7972   -0.7972 -0.7430 0.0000
H4 -0.9195 1.2562 -1.0792   -1.0792 1.2562 -0.9195
H5 0.9195 1.2562 -1.0792   -1.0792 1.2562 0.9195
H6 0.9195 -1.2562 -1.0792   -1.0792 -1.2562 0.9195
H7 -0.9195 -1.2562 -1.0792   -1.0792 -1.2562 -0.9195
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8231 1.8231 2.4928 2.4928 2.4928 2.4928
C2 1.8231 1.4860 1.0902 1.0902 2.2186 2.2186
C3 1.8231 1.4860 2.2186 2.2186 1.0902 1.0902
H4 2.4928 1.0902 2.2186 1.8391 3.1136 2.5125
H5 2.4928 1.0902 2.2186 1.8391 2.5125 3.1136
H6 2.4928 2.2186 1.0902 3.1136 2.5125 1.8391
H7 2.4928 2.2186 1.0902 2.5125 3.1136 1.8391
Maximum atom distance is 3.1136Å 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 65.949 S1 C3 C2 65.949
C2 S1 C3 48.102
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.344 S1 C2 H5 115.344
S1 C3 H6 115.344 S1 C3 H7 115.344
C2 C3 H6 118.084 C2 C3 H7 118.084
C3 C2 H4 118.084 C3 C2 H5 118.084
H4 C2 H5 115.021 H6 C3 H7 115.021

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